4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide

C15H25N5O2 — CID 135515951

IUPAC4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C15H25N5O2/c1-5-18(6-2)15(22)20-9-7-19(8-10-20)14-16-12(4)11(3)13(21)17-14/h5-10H2,1-4H3,(H,16,17,21)
InChIKeyJGKOXHIAGUXBNZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.97
Rot. Bonds3

About 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide

4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 135515951) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID135515951
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C15H25N5O2/c1-5-18(6-2)15(22)20-9-7-19(8-10-20)14-16-12(4)11(3)13(21)17-14/h5-10H2,1-4H3,(H,16,17,21)
InChIKeyJGKOXHIAGUXBNZ-UHFFFAOYSA-N
XLogP0.97
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide (CID 135515951) is 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1.
What is the InChIKey of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is JGKOXHIAGUXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-18(6-2)15(22)20-9-7-19(8-10-20)14-16-12(4)11(3)13(21)17-14/h5-10H2,1-4H3,(H,16,17,21).
What are the key properties of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide?
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 135515951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).