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

C18H18N4OS — CID 51110152

IUPACN-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC1CC1)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H18N4OS/c1-22(10-16(23)21-13-7-8-13)17-14-9-15(12-5-3-2-4-6-12)24-18(14)20-11-19-17/h2-6,9,11,13H,7-8,10H2,1H3,(H,21,23)
InChIKeyDKBRTYAITLSZEF-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.07
Rot. Bonds5

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

N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 51110152) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID51110152
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC1CC1)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H18N4OS/c1-22(10-16(23)21-13-7-8-13)17-14-9-15(12-5-3-2-4-6-12)24-18(14)20-11-19-17/h2-6,9,11,13H,7-8,10H2,1H3,(H,21,23)
InChIKeyDKBRTYAITLSZEF-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553299
(2R)-N-cyclopentyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7558284
N-methoxy-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9107019
N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 27632112
2-[ethyl-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122062007
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6600310
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-cyclopropyl-2-[methyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 41012845
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
(2S)-1-[[(2S)-1-hydroxypropan-2-yl]-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 124855397
3-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133302758

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 51110152) is N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CN(CC(=O)NC1CC1)c1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is DKBRTYAITLSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22(10-16(23)21-13-7-8-13)17-14-9-15(12-5-3-2-4-6-12)24-18(14)20-11-19-17/h2-6,9,11,13H,7-8,10H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 338.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 51110152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).