6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine

C16H19N5OS — CID 129333421

IUPAC6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@H]3CCO[C@@H](c4cncn4C)C3)ncnc2s1
InChIInChI=1S/C16H19N5OS/c1-10-5-12-15(18-8-19-16(12)23-10)20-11-3-4-22-14(6-11)13-7-17-9-21(13)2/h5,7-9,11,14H,3-4,6H2,1-2H3,(H,18,19,20)/t11-,14+/m0/s1
InChIKeyMHNLTTQVBZVNEV-SMDDNHRTSA-N
MW329.43 g/mol
LogP3.07
Rot. Bonds3

About 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 129333421) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID129333421
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@H]3CCO[C@@H](c4cncn4C)C3)ncnc2s1
InChIInChI=1S/C16H19N5OS/c1-10-5-12-15(18-8-19-16(12)23-10)20-11-3-4-22-14(6-11)13-7-17-9-21(13)2/h5,7-9,11,14H,3-4,6H2,1-2H3,(H,18,19,20)/t11-,14+/m0/s1
InChIKeyMHNLTTQVBZVNEV-SMDDNHRTSA-N
XLogP3.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 129333421) is 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N[C@H]3CCO[C@@H](c4cncn4C)C3)ncnc2s1.
What is the InChIKey of 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MHNLTTQVBZVNEV-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10-5-12-15(18-8-19-16(12)23-10)20-11-3-4-22-14(6-11)13-7-17-9-21(13)2/h5,7-9,11,14H,3-4,6H2,1-2H3,(H,18,19,20)/t11-,14+/m0/s1.
What are the key properties of 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 129333421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).