2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine

C97H141N21OS2 — CID 157333096

IUPAC2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine
SMILESCC(C)c1nc(C(C)C)c2[nH]cnc2n1.CC(C)c1nc(C(C)C)c2cccn2n1.CC(C)c1nc(C(C)C)c2ccsc2n1.CC(C)c1nc(C(C)C)c2occc2n1.CC(C)c1nc(C(C)C)c2sccc2n1.CC(C)c1nc2c(c(C(C)C)n1)CCC2.CC(C)c1nc2c(c(C(C)C)n1)CCNC2.CC(C)c1nc2c(c(C(C)C)n1)CNC2
InChIInChI=1S/C13H21N3.C13H20N2.C12H19N3.C12H17N3.C12H16N2O.2C12H16N2S.C11H16N4/c1-8(2)12-10-5-6-14-7-11(10)15-13(16-12)9(3)4;1-8(2)12-10-6-5-7-11(10)14-13(15-12)9(3)4;1-7(2)11-9-5-13-6-10(9)14-12(15-11)8(3)4;1-8(2)11-10-6-5-7-15(10)14-12(13-11)9(3)4;2*1-7(2)10-11-9(5-6-15-11)13-12(14-10)8(3)4;1-7(2)10-9-5-6-15-12(9)14-11(13-10)8(3)4;1-6(2)8-9-11(13-5-12-9)15-10(14-8)7(3)4/h8-9,14H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7-8,13H,5-6H2,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,12,13,14,15)
InChIKeyBFNBNGGJDGQKAE-UHFFFAOYSA-N
MW1681.47 g/mol
LogP24.83
Rot. Bonds16

About 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine

2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine (PubChem CID 157333096) has the molecular formula C97H141N21OS2 and a molecular weight of 1681.47 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine
PubChem CID157333096
Molecular FormulaC97H141N21OS2
Molecular Weight1681.47 g/mol
Exact Mass1680.11
IUPAC Name2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine
SMILESCC(C)c1nc(C(C)C)c2[nH]cnc2n1.CC(C)c1nc(C(C)C)c2cccn2n1.CC(C)c1nc(C(C)C)c2ccsc2n1.CC(C)c1nc(C(C)C)c2occc2n1.CC(C)c1nc(C(C)C)c2sccc2n1.CC(C)c1nc2c(c(C(C)C)n1)CCC2.CC(C)c1nc2c(c(C(C)C)n1)CCNC2.CC(C)c1nc2c(c(C(C)C)n1)CNC2
InChIInChI=1S/C13H21N3.C13H20N2.C12H19N3.C12H17N3.C12H16N2O.2C12H16N2S.C11H16N4/c1-8(2)12-10-5-6-14-7-11(10)15-13(16-12)9(3)4;1-8(2)12-10-6-5-7-11(10)14-13(15-12)9(3)4;1-7(2)11-9-5-13-6-10(9)14-12(15-11)8(3)4;1-8(2)11-10-6-5-7-15(10)14-12(13-11)9(3)4;2*1-7(2)10-11-9(5-6-15-11)13-12(14-10)8(3)4;1-7(2)10-9-5-6-15-12(9)14-11(13-10)8(3)4;1-6(2)8-9-11(13-5-12-9)15-10(14-8)7(3)4/h8-9,14H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7-8,13H,5-6H2,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,12,13,14,15)
InChIKeyBFNBNGGJDGQKAE-UHFFFAOYSA-N
XLogP24.83
TPSA276.53 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.47
LogP ≤ 524.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine (CID 157333096) is 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine is CC(C)c1nc(C(C)C)c2[nH]cnc2n1.CC(C)c1nc(C(C)C)c2cccn2n1.CC(C)c1nc(C(C)C)c2ccsc2n1.CC(C)c1nc(C(C)C)c2occc2n1.CC(C)c1nc(C(C)C)c2sccc2n1.CC(C)c1nc2c(c(C(C)C)n1)CCC2.CC(C)c1nc2c(c(C(C)C)n1)CCNC2.CC(C)c1nc2c(c(C(C)C)n1)CNC2.
What is the InChIKey of 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine?
The InChIKey is BFNBNGGJDGQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C13H20N2.C12H19N3.C12H17N3.C12H16N2O.2C12H16N2S.C11H16N4/c1-8(2)12-10-5-6-14-7-11(10)15-13(16-12)9(3)4;1-8(2)12-10-6-5-7-11(10)14-13(15-12)9(3)4;1-7(2)11-9-5-13-6-10(9)14-12(15-11)8(3)4;1-8(2)11-10-6-5-7-15(10)14-12(13-11)9(3)4;2*1-7(2)10-11-9(5-6-15-11)13-12(14-10)8(3)4;1-7(2)10-9-5-6-15-12(9)14-11(13-10)8(3)4;1-6(2)8-9-11(13-5-12-9)15-10(14-8)7(3)4/h8-9,14H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7-8,13H,5-6H2,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,12,13,14,15).
What are the key properties of 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine?
2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine has a molecular weight of 1681.47 g/mol, XLogP of 24.83, 16 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 157333096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).