[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol

C15H20N4OS — CID 139021980

IUPAC[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol
SMILESCc1csc2ncnc(N3C[C@@H]4CCCN4C[C@@H]3CO)c12
InChIInChI=1S/C15H20N4OS/c1-10-8-21-15-13(10)14(16-9-17-15)19-6-11-3-2-4-18(11)5-12(19)7-20/h8-9,11-12,20H,2-7H2,1H3/t11-,12+/m0/s1
InChIKeyNIDXJBRHDQWKPO-NWDGAFQWSA-N
MW304.42 g/mol
LogP1.65
Rot. Bonds2

About [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol

[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol (PubChem CID 139021980) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol
PubChem CID139021980
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol
SMILESCc1csc2ncnc(N3C[C@@H]4CCCN4C[C@@H]3CO)c12
InChIInChI=1S/C15H20N4OS/c1-10-8-21-15-13(10)14(16-9-17-15)19-6-11-3-2-4-18(11)5-12(19)7-20/h8-9,11-12,20H,2-7H2,1H3/t11-,12+/m0/s1
InChIKeyNIDXJBRHDQWKPO-NWDGAFQWSA-N
XLogP1.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol?
The IUPAC name of [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol (CID 139021980) is [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol?
The canonical SMILES for [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol is Cc1csc2ncnc(N3C[C@@H]4CCCN4C[C@@H]3CO)c12.
What is the InChIKey of [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol?
The InChIKey is NIDXJBRHDQWKPO-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-8-21-15-13(10)14(16-9-17-15)19-6-11-3-2-4-18(11)5-12(19)7-20/h8-9,11-12,20H,2-7H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol?
[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol has a molecular weight of 304.42 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 139021980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).