2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

C15H15ClN4O — CID 115914667

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1cc(Cl)nc(-c2ccccc2)n1)NC1CC1
InChIInChI=1S/C15H15ClN4O/c16-12-8-13(17-9-14(21)18-11-6-7-11)20-15(19-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,18,21)(H,17,19,20)
InChIKeyFLXHSCGUMVOHNA-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.49
Rot. Bonds5

About 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 115914667) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID115914667
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1cc(Cl)nc(-c2ccccc2)n1)NC1CC1
InChIInChI=1S/C15H15ClN4O/c16-12-8-13(17-9-14(21)18-11-6-7-11)20-15(19-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,18,21)(H,17,19,20)
InChIKeyFLXHSCGUMVOHNA-UHFFFAOYSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
CID 114549259
6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
CID 106196089
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 115914667) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is O=C(CNc1cc(Cl)nc(-c2ccccc2)n1)NC1CC1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is FLXHSCGUMVOHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-12-8-13(17-9-14(21)18-11-6-7-11)20-15(19-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 302.76 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 115914667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).