6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine

C191H283N39OS2 — CID 162248252

IUPAC6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1ccncc1.c1ccncc1.c1cnc2cncnc2c1.c1cnc2ncncc2c1.c1cncnc1.c1ncc2[nH]ccc2n1.c1ncc2[nH]cnc2n1.c1ncc2c(n1)CCC2.c1ncc2c(n1)CCCC2.c1ncc2c(n1)COCC2.c1ncc2ccsc2n1.c1ncc2sccc2n1
InChIInChI=1S/C8H10N2.2C8H6N2.2C8H7N.4C7H5N3.C7H8N2O.C7H8N2.C6H5N3.2C6H4N2S.C5H4N4.2C5H5N.C4H4N2.18C4H10/c2*1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-10-4-7-6(1)3-8-5-9-7;1-2-6-4-8-5-9-7(6)3-1;1-2-8-6-3-7-4-9-5(1)6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;18*1-4(2)3/h5-6H,1-4H2;2*1-6H;2*1-6,9H;4*1-5H;3,5H,1-2,4H2;4-5H,1-3H2;1-4,8H;2*1-4H;1-3H,(H,6,7,8,9);2*1-5H;1-4H;18*4H,1-3H3
InChIKeyZXQFCTVYJWJEAG-UHFFFAOYSA-N
MW3205.77 g/mol
LogP51.82
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine

6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine (PubChem CID 162248252) has the molecular formula C191H283N39OS2 and a molecular weight of 3205.77 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
PubChem CID162248252
Molecular FormulaC191H283N39OS2
Molecular Weight3205.77 g/mol
Exact Mass3203.27
IUPAC Name6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1ccncc1.c1ccncc1.c1cnc2cncnc2c1.c1cnc2ncncc2c1.c1cncnc1.c1ncc2[nH]ccc2n1.c1ncc2[nH]cnc2n1.c1ncc2c(n1)CCC2.c1ncc2c(n1)CCCC2.c1ncc2c(n1)COCC2.c1ncc2ccsc2n1.c1ncc2sccc2n1
InChIInChI=1S/C8H10N2.2C8H6N2.2C8H7N.4C7H5N3.C7H8N2O.C7H8N2.C6H5N3.2C6H4N2S.C5H4N4.2C5H5N.C4H4N2.18C4H10/c2*1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-10-4-7-6(1)3-8-5-9-7;1-2-6-4-8-5-9-7(6)3-1;1-2-8-6-3-7-4-9-5(1)6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;18*1-4(2)3/h5-6H,1-4H2;2*1-6H;2*1-6,9H;4*1-5H;3,5H,1-2,4H2;4-5H,1-3H2;1-4,8H;2*1-4H;1-3H,(H,6,7,8,9);2*1-5H;1-4H;18*4H,1-3H3
InChIKeyZXQFCTVYJWJEAG-UHFFFAOYSA-N
XLogP51.82
TPSA523.54 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003205.77
LogP ≤ 551.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine (CID 162248252) is 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1ccncc1.c1ccncc1.c1cnc2cncnc2c1.c1cnc2ncncc2c1.c1cncnc1.c1ncc2[nH]ccc2n1.c1ncc2[nH]cnc2n1.c1ncc2c(n1)CCC2.c1ncc2c(n1)CCCC2.c1ncc2c(n1)COCC2.c1ncc2ccsc2n1.c1ncc2sccc2n1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?
The InChIKey is ZXQFCTVYJWJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.2C8H6N2.2C8H7N.4C7H5N3.C7H8N2O.C7H8N2.C6H5N3.2C6H4N2S.C5H4N4.2C5H5N.C4H4N2.18C4H10/c2*1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-10-4-7-6(1)3-8-5-9-7;1-2-6-4-8-5-9-7(6)3-1;1-2-8-6-3-7-4-9-5(1)6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;18*1-4(2)3/h5-6H,1-4H2;2*1-6H;2*1-6,9H;4*1-5H;3,5H,1-2,4H2;4-5H,1-3H2;1-4,8H;2*1-4H;1-3H,(H,6,7,8,9);2*1-5H;1-4H;18*4H,1-3H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?
6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine has a molecular weight of 3205.77 g/mol, XLogP of 51.82, 0 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine is sourced from PubChem (CID 162248252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).