N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide

C15H17N3O2 — CID 109388553

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCC(CO)N(C)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c1-11(10-19)18(2)15(20)13-8-16-14(17-9-13)12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3
InChIKeyIYOPZABWLYOFJQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.60
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 109388553) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID109388553
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCC(CO)N(C)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c1-11(10-19)18(2)15(20)13-8-16-14(17-9-13)12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3
InChIKeyIYOPZABWLYOFJQ-UHFFFAOYSA-N
XLogP1.60
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
CID 95551014
(E)-3-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 104553923
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
CID 97341252
N-(1-hydroxypropan-2-yl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 109388507

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide (CID 109388553) is N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide is CC(CO)N(C)C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is IYOPZABWLYOFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(10-19)18(2)15(20)13-8-16-14(17-9-13)12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).