N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C20H25N5O3 — CID 109325276

IUPACN-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-14-13-18(19(27)23-17-5-3-16(4-6-17)15(2)26)24-20(22-14)21-7-8-25-9-11-28-12-10-25/h3-6,13H,7-12H2,1-2H3,(H,23,27)(H,21,22,24)
InChIKeyYIPHDAQVQAGSRP-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.98
Rot. Bonds7

About N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109325276) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109325276
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-14-13-18(19(27)23-17-5-3-16(4-6-17)15(2)26)24-20(22-14)21-7-8-25-9-11-28-12-10-25/h3-6,13H,7-12H2,1-2H3,(H,23,27)(H,21,22,24)
InChIKeyYIPHDAQVQAGSRP-UHFFFAOYSA-N
XLogP1.98
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
N-(4-acetylphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277702
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109325276) is N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(C)nc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is YIPHDAQVQAGSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-13-18(19(27)23-17-5-3-16(4-6-17)15(2)26)24-20(22-14)21-7-8-25-9-11-28-12-10-25/h3-6,13H,7-12H2,1-2H3,(H,23,27)(H,21,22,24).
What are the key properties of N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).