N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C15H16N4O3 — CID 70725726

IUPACN-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N4O3/c1-10(20)16-7-8-17-14(21)12-9-18-13(19-15(12)22)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,20)(H,17,21)(H,18,19,22)
InChIKeyQFWMRDUZSQLJAB-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.30
Rot. Bonds5

About N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 70725726) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID70725726
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N4O3/c1-10(20)16-7-8-17-14(21)12-9-18-13(19-15(12)22)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,20)(H,17,21)(H,18,19,22)
InChIKeyQFWMRDUZSQLJAB-UHFFFAOYSA-N
XLogP0.30
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 660368
6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
N-Allyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 4370685
2-Phenylpyrimidin-4-ol
CID 259156
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458502
2-Phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578165
N-Benzyl-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1050210
1-benzyl-N-cyclohexyl-2-imino-10-methyl-5-oxodipyrido[4,3-b:1'',2''-f]pyrimidine-3-carboxamide
CID 1319945
1-Butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3432697
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide
CID 661014
7-benzyl-N-butyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 663961

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 70725726) is N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is CC(=O)NCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is QFWMRDUZSQLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10(20)16-7-8-17-14(21)12-9-18-13(19-15(12)22)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,20)(H,17,21)(H,18,19,22).
What are the key properties of N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70725726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).