2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C15H20N4OS — CID 103329718

IUPAC2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNc1nc(N2CC3CCC(O)C3C2)c2cc(C)sc2n1
InChIInChI=1S/C15H20N4OS/c1-8-5-10-13(17-15(16-2)18-14(10)21-8)19-6-9-3-4-12(20)11(9)7-19/h5,9,11-12,20H,3-4,6-7H2,1-2H3,(H,16,17,18)
InChIKeyRFOMSDUHPTZHFP-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.25
Rot. Bonds2

About 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103329718) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103329718
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNc1nc(N2CC3CCC(O)C3C2)c2cc(C)sc2n1
InChIInChI=1S/C15H20N4OS/c1-8-5-10-13(17-15(16-2)18-14(10)21-8)19-6-9-3-4-12(20)11(9)7-19/h5,9,11-12,20H,3-4,6-7H2,1-2H3,(H,16,17,18)
InChIKeyRFOMSDUHPTZHFP-UHFFFAOYSA-N
XLogP2.25
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327472
4-(2-ethylmorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103325054
4-(2-ethylthiomorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103330530
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 103329632
N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331095
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103327562
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103329896
2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325873

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103329718) is 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CNc1nc(N2CC3CCC(O)C3C2)c2cc(C)sc2n1.
What is the InChIKey of 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is RFOMSDUHPTZHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-8-5-10-13(17-15(16-2)18-14(10)21-8)19-6-9-3-4-12(20)11(9)7-19/h5,9,11-12,20H,3-4,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 304.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103329718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).