N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C23H27N3O3 — CID 73350455

IUPACN-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H27N3O3/c1-4-15(2)24-22(27)20-16(3)25-23(28)26-21(20)18-10-12-19(13-11-18)29-14-17-8-6-5-7-9-17/h5-13,15,21H,4,14H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyDWQMKGWYYGXMGT-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.81
Rot. Bonds7

About N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 73350455) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID73350455
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H27N3O3/c1-4-15(2)24-22(27)20-16(3)25-23(28)26-21(20)18-10-12-19(13-11-18)29-14-17-8-6-5-7-9-17/h5-13,15,21H,4,14H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyDWQMKGWYYGXMGT-UHFFFAOYSA-N
XLogP3.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-methoxyethyl (4S)-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7073409
methyl 2-oxo-4-(4-phenylmethoxyphenyl)-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844421
methyl 6-methyl-4-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845029
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858309
benzyl 6-methyl-2-oxo-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2965812
methyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 84840912
benzyl 4-[4-[(3-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845914
ethyl (4R)-4-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41056621
methyl 6-butyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844427
benzyl 6-methyl-2-oxo-4-[4-(4-propan-2-ylphenoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845635
(4S)-N-(2-ethoxyphenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40567086
4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2945156

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 73350455) is N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCC(C)NC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is DWQMKGWYYGXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-15(2)24-22(27)20-16(3)25-23(28)26-21(20)18-10-12-19(13-11-18)29-14-17-8-6-5-7-9-17/h5-13,15,21H,4,14H2,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 73350455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).