N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide

C19H17N5O2 — CID 90189271

IUPACN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide
SMILESCNc1cc(-c2cccc(NC(=O)C(=O)c3ccccc3)c2)nc(N)n1
InChIInChI=1S/C19H17N5O2/c1-21-16-11-15(23-19(20)24-16)13-8-5-9-14(10-13)22-18(26)17(25)12-6-3-2-4-7-12/h2-11H,1H3,(H,22,26)(H3,20,21,23,24)
InChIKeyXIBATZZPBVDRDC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.59
Rot. Bonds5

About N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide (PubChem CID 90189271) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide
PubChem CID90189271
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide
SMILESCNc1cc(-c2cccc(NC(=O)C(=O)c3ccccc3)c2)nc(N)n1
InChIInChI=1S/C19H17N5O2/c1-21-16-11-15(23-19(20)24-16)13-8-5-9-14(10-13)22-18(26)17(25)12-6-3-2-4-7-12/h2-11H,1H3,(H,22,26)(H3,20,21,23,24)
InChIKeyXIBATZZPBVDRDC-UHFFFAOYSA-N
XLogP2.59
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one
CID 174775659
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanamide
CID 155674141
1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;tetrakis(triphenylphosphane)
CID 158523685
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189196
4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 58316685
4-[3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutanoic acid
CID 68912338
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
CID 118642231
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide (CID 90189271) is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide is CNc1cc(-c2cccc(NC(=O)C(=O)c3ccccc3)c2)nc(N)n1.
What is the InChIKey of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide?
The InChIKey is XIBATZZPBVDRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-21-16-11-15(23-19(20)24-16)13-8-5-9-14(10-13)22-18(26)17(25)12-6-3-2-4-7-12/h2-11H,1H3,(H,22,26)(H3,20,21,23,24).
What are the key properties of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide?
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide has a molecular weight of 347.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 90189271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).