3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide

C18H20N4OS — CID 133416689

IUPAC3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C(N)=O)C(C)C)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4OS/c1-10(2)15(16(19)23)22-17-13-9-14(12-7-5-4-6-8-12)24-18(13)21-11(3)20-17/h4-10,15H,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyLONWRGPRAOGQOI-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.59
Rot. Bonds5

About 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide

3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide (PubChem CID 133416689) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
PubChem CID133416689
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C(N)=O)C(C)C)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4OS/c1-10(2)15(16(19)23)22-17-13-9-14(12-7-5-4-6-8-12)24-18(13)21-11(3)20-17/h4-10,15H,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyLONWRGPRAOGQOI-UHFFFAOYSA-N
XLogP3.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
CID 75399999
(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide
CID 166386190
3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 1191481
3-methyl-2-[(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91965550
N-(butan-2-ylideneamino)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4640728
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
CID 133492838
2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol
CID 100668691
1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 133415293
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one
CID 133365697
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7888355
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide (CID 133416689) is 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide is Cc1nc(NC(C(N)=O)C(C)C)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
The InChIKey is LONWRGPRAOGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-10(2)15(16(19)23)22-17-13-9-14(12-7-5-4-6-8-12)24-18(13)21-11(3)20-17/h4-10,15H,1-3H3,(H2,19,23)(H,20,21,22).
What are the key properties of 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide has a molecular weight of 340.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 133416689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).