2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide

C20H27N5O2 — CID 42843960

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccccc1N1CCN(c2ncc(C(=O)NCC(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O2/c1-14(2)12-21-18(26)16-13-22-20(23-19(16)27)25-10-8-24(9-11-25)17-7-5-4-6-15(17)3/h4-7,13-14H,8-12H2,1-3H3,(H,21,26)(H,22,23,27)
InChIKeyVXDGPPHUMYSHGI-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 42843960) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID42843960
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccccc1N1CCN(c2ncc(C(=O)NCC(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O2/c1-14(2)12-21-18(26)16-13-22-20(23-19(16)27)25-10-8-24(9-11-25)17-7-5-4-6-15(17)3/h4-7,13-14H,8-12H2,1-3H3,(H,21,26)(H,22,23,27)
InChIKeyVXDGPPHUMYSHGI-UHFFFAOYSA-N
XLogP1.79
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 24719423
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 24719436
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420
N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843956
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 42844021
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843995
N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 46028433
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340442
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 42843960) is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ccccc1N1CCN(c2ncc(C(=O)NCC(C)C)c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VXDGPPHUMYSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)12-21-18(26)16-13-22-20(23-19(16)27)25-10-8-24(9-11-25)17-7-5-4-6-15(17)3/h4-7,13-14H,8-12H2,1-3H3,(H,21,26)(H,22,23,27).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 42843960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).