N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

C13H20N6O2 — CID 3066970

IUPACN-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N6O2/c1-16(2)12(20)17(3)13(21)19-9-7-18(8-10-19)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
InChIKeyREVJBTTXZRPEHF-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.33
Rot. Bonds1

About N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 3066970) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID3066970
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N6O2/c1-16(2)12(20)17(3)13(21)19-9-7-18(8-10-19)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
InChIKeyREVJBTTXZRPEHF-UHFFFAOYSA-N
XLogP0.33
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 3066970) is N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is CN(C)C(=O)N(C)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is REVJBTTXZRPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-16(2)12(20)17(3)13(21)19-9-7-18(8-10-19)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3.
What are the key properties of N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 3066970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).