N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide

C28H33N7O3 — CID 175047525

IUPACN-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C5CNCCO5)cc4)n3)CC2)cc1
InChIInChI=1S/C28H33N7O3/c1-19-17-26(33-27(30-19)31-23-9-5-22(6-10-23)25-18-29-11-16-38-25)34-12-14-35(15-13-34)28(37)32-24-7-3-21(4-8-24)20(2)36/h3-10,17,25,29H,11-16,18H2,1-2H3,(H,32,37)(H,30,31,33)
InChIKeyKJLVKHIQTAWQCX-UHFFFAOYSA-N
MW515.62 g/mol
LogP3.75
Rot. Bonds6

About N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide

N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 175047525) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID175047525
Molecular FormulaC28H33N7O3
Molecular Weight515.62 g/mol
Exact Mass515.26
IUPAC NameN-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C5CNCCO5)cc4)n3)CC2)cc1
InChIInChI=1S/C28H33N7O3/c1-19-17-26(33-27(30-19)31-23-9-5-22(6-10-23)25-18-29-11-16-38-25)34-12-14-35(15-13-34)28(37)32-24-7-3-21(4-8-24)20(2)36/h3-10,17,25,29H,11-16,18H2,1-2H3,(H,32,37)(H,30,31,33)
InChIKeyKJLVKHIQTAWQCX-UHFFFAOYSA-N
XLogP3.75
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-4-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 175046339
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
N-(2,4-dimethylphenyl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53047710
1-[4-[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914934
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348327
4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47001646
methyl 4-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112913902
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide (CID 175047525) is N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C5CNCCO5)cc4)n3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is KJLVKHIQTAWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-19-17-26(33-27(30-19)31-23-9-5-22(6-10-23)25-18-29-11-16-38-25)34-12-14-35(15-13-34)28(37)32-24-7-3-21(4-8-24)20(2)36/h3-10,17,25,29H,11-16,18H2,1-2H3,(H,32,37)(H,30,31,33).
What are the key properties of N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[6-methyl-2-(4-morpholin-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 175047525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).