N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide

C11H17N5O2 — CID 136989399

IUPACN-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H17N5O2/c1-7-14-9(5-10(17)15-7)16-4-3-13-6-8(16)11(18)12-2/h5,8,13H,3-4,6H2,1-2H3,(H,12,18)(H,14,15,17)
InChIKeyAPUPWGJDCIISRH-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.40
Rot. Bonds2

About N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide

N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 136989399) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID136989399
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H17N5O2/c1-7-14-9(5-10(17)15-7)16-4-3-13-6-8(16)11(18)12-2/h5,8,13H,3-4,6H2,1-2H3,(H,12,18)(H,14,15,17)
InChIKeyAPUPWGJDCIISRH-UHFFFAOYSA-N
XLogP-1.40
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide (CID 136989399) is N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide is CNC(=O)C1CNCCN1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is APUPWGJDCIISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-14-9(5-10(17)15-7)16-4-3-13-6-8(16)11(18)12-2/h5,8,13H,3-4,6H2,1-2H3,(H,12,18)(H,14,15,17).
What are the key properties of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 136989399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).