1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol

C12H16N4OS — CID 103327446

IUPAC1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCC(O)C2)c2cc(C)sc2n1
InChIInChI=1S/C12H16N4OS/c1-7-5-9-10(16-4-3-8(17)6-16)14-12(13-2)15-11(9)18-7/h5,8,17H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyKDZMAMAUAHLRQI-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.61
Rot. Bonds2

About 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol

1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 103327446) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID103327446
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCC(O)C2)c2cc(C)sc2n1
InChIInChI=1S/C12H16N4OS/c1-7-5-9-10(16-4-3-8(17)6-16)14-12(13-2)15-11(9)18-7/h5,8,17H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyKDZMAMAUAHLRQI-UHFFFAOYSA-N
XLogP1.61
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol (CID 103327446) is 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol is CNc1nc(N2CCC(O)C2)c2cc(C)sc2n1.
What is the InChIKey of 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is KDZMAMAUAHLRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-5-9-10(16-4-3-8(17)6-16)14-12(13-2)15-11(9)18-7/h5,8,17H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 264.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103327446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).