N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide

C15H19N7O2 — CID 42843956

IUPACN-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(c3ncccn3)CC2)[nH]c1=O
InChIInChI=1S/C15H19N7O2/c1-2-16-12(23)11-10-19-15(20-13(11)24)22-8-6-21(7-9-22)14-17-4-3-5-18-14/h3-5,10H,2,6-9H2,1H3,(H,16,23)(H,19,20,24)
InChIKeyHTRLACMCBRETTA-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.36
Rot. Bonds4

About N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide

N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 42843956) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
PubChem CID42843956
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(c3ncccn3)CC2)[nH]c1=O
InChIInChI=1S/C15H19N7O2/c1-2-16-12(23)11-10-19-15(20-13(11)24)22-8-6-21(7-9-22)14-17-4-3-5-18-14/h3-5,10H,2,6-9H2,1H3,(H,16,23)(H,19,20,24)
InChIKeyHTRLACMCBRETTA-UHFFFAOYSA-N
XLogP-0.36
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 42844021
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 42843960
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 24719436
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-benzyl-N-methyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843972
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843995
N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 154467399
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
N-(3-methoxypropyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174450
N-(cyanomethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43315831

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide (CID 42843956) is N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide is CCNC(=O)c1cnc(N2CCN(c3ncccn3)CC2)[nH]c1=O.
What is the InChIKey of N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is HTRLACMCBRETTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-2-16-12(23)11-10-19-15(20-13(11)24)22-8-6-21(7-9-22)14-17-4-3-5-18-14/h3-5,10H,2,6-9H2,1H3,(H,16,23)(H,19,20,24).
What are the key properties of N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 42843956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).