2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

C15H22N4OS — CID 115571995

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCc1sc2ncnc(NC(C)C(=O)NCC(C)C)c2c1C
InChIInChI=1S/C15H22N4OS/c1-8(2)6-16-14(20)10(4)19-13-12-9(3)11(5)21-15(12)18-7-17-13/h7-8,10H,6H2,1-5H3,(H,16,20)(H,17,18,19)
InChIKeyKHLURTLHTMIECV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.88
Rot. Bonds5

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 115571995) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID115571995
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCc1sc2ncnc(NC(C)C(=O)NCC(C)C)c2c1C
InChIInChI=1S/C15H22N4OS/c1-8(2)6-16-14(20)10(4)19-13-12-9(3)11(5)21-15(12)18-7-17-13/h7-8,10H,6H2,1-5H3,(H,16,20)(H,17,18,19)
InChIKeyKHLURTLHTMIECV-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9456660
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9400677
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 25345425
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(2-methylpropyl)acetamide
CID 2477330
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 1412618
(2S,3S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoate
CID 6939424
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 42919480
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 114072700

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (CID 115571995) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is Cc1sc2ncnc(NC(C)C(=O)NCC(C)C)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is KHLURTLHTMIECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-8(2)6-16-14(20)10(4)19-13-12-9(3)11(5)21-15(12)18-7-17-13/h7-8,10H,6H2,1-5H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 306.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115571995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).