2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide

C15H15N5O — CID 650125

IUPAC2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H15N5O/c1-11-8-12(2)18-15(17-11)20(10-16)9-14(21)19-13-6-4-3-5-7-13/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyUTFOBCMLQXBTBL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.02
Rot. Bonds4

About 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide

2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide (PubChem CID 650125) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide
PubChem CID650125
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H15N5O/c1-11-8-12(2)18-15(17-11)20(10-16)9-14(21)19-13-6-4-3-5-7-13/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyUTFOBCMLQXBTBL-UHFFFAOYSA-N
XLogP2.02
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Pyrimethanil
CID 91650
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 735909
N-[4-[[2-(4-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 1118298
Dimethyl[6-methyl-2-(phenylamino)pyrimidin-4-yl]amine
CID 718645
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
N-(2,4-difluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)urea
CID 971626
1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 714358
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide
CID 852542
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772

Frequently Asked Questions

What is the IUPAC name of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide (CID 650125) is 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide is Cc1cc(C)nc(N(C#N)CC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide?
The InChIKey is UTFOBCMLQXBTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-8-12(2)18-15(17-11)20(10-16)9-14(21)19-13-6-4-3-5-7-13/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide?
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide has a molecular weight of 281.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 650125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).