(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine

C12H18N4S — CID 67459798

IUPAC(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC[C@@H]1SCc2ncnc(N3CCNC[C@@H]3C)c21
InChIInChI=1S/C12H18N4S/c1-8-5-13-3-4-16(8)12-11-9(2)17-6-10(11)14-7-15-12/h7-9,13H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyOWILRMITSIUVRI-IUCAKERBSA-N
MW250.37 g/mol
LogP1.58
Rot. Bonds1

About (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine

(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 67459798) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID67459798
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC[C@@H]1SCc2ncnc(N3CCNC[C@@H]3C)c21
InChIInChI=1S/C12H18N4S/c1-8-5-13-3-4-16(8)12-11-9(2)17-6-10(11)14-7-15-12/h7-9,13H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyOWILRMITSIUVRI-IUCAKERBSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine with MolForge

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Related Compounds

(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 67339039
(5R,7R)-5-methyl-4-(2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 66617782
(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 71142946
4-(2-methylpiperazin-1-yl)quinazoline
CID 62673888
5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
CID 66340193
2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 154558500
4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 98042461
2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 24951226
2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
CID 71639519
4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine
CID 126848956
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine (CID 67459798) is (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine is C[C@@H]1SCc2ncnc(N3CCNC[C@@H]3C)c21.
What is the InChIKey of (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is OWILRMITSIUVRI-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-5-13-3-4-16(8)12-11-9(2)17-6-10(11)14-7-15-12/h7-9,13H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine?
(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 250.37 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 67459798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).