N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C16H20N4O3 — CID 2955635

IUPACN-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(N3CCOCC3)=N2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-2-4-12(5-3-11)17-15(22)13-10-14(21)19-16(18-13)20-6-8-23-9-7-20/h2-5,13H,6-10H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyZPRVOQUDUBDQQR-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.51
Rot. Bonds2

About N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2955635) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2955635
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(N3CCOCC3)=N2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-2-4-12(5-3-11)17-15(22)13-10-14(21)19-16(18-13)20-6-8-23-9-7-20/h2-5,13H,6-10H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyZPRVOQUDUBDQQR-UHFFFAOYSA-N
XLogP0.51
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41090793
(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1088069
(4R)-2-morpholin-4-yl-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975980
(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41090542
(4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442098
(4S)-2-morpholin-4-yl-N-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 27518767
(4S)-N-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442079
(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7413359
N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6485542
(4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2027295
N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2950799
ethyl 4-[[(4S)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate
CID 40814571

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2955635) is N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)C2CC(=O)NC(N3CCOCC3)=N2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is ZPRVOQUDUBDQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-2-4-12(5-3-11)17-15(22)13-10-14(21)19-16(18-13)20-6-8-23-9-7-20/h2-5,13H,6-10H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2955635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).