6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

C18H22N4O2 — CID 112851592

IUPAC6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-13(2)19-18(23)15-12-16(22-8-10-24-11-9-22)21-17(20-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23)
InChIKeyASYHCIQDKSPHFV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.12
Rot. Bonds4

About 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 112851592) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID112851592
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-13(2)19-18(23)15-12-16(22-8-10-24-11-9-22)21-17(20-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23)
InChIKeyASYHCIQDKSPHFV-UHFFFAOYSA-N
XLogP2.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(6-morpholin-4-yl-2-phenylpyrimidine-4-carbonyl)amino]-5-oxopentanoic acid
CID 67460314
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
CID 23827389
(3S)-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-3-[(2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]butanoic acid
CID 143811326

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 112851592) is 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ASYHCIQDKSPHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)19-18(23)15-12-16(22-8-10-24-11-9-22)21-17(20-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23).
What are the key properties of 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).