1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide

C12H19N5O2 — CID 114600956

IUPAC1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1cnc(N2CCNCC2C(=O)N(C)C)nc1
InChIInChI=1S/C12H19N5O2/c1-16(2)11(18)10-8-13-4-5-17(10)12-14-6-9(19-3)7-15-12/h6-7,10,13H,4-5,8H2,1-3H3
InChIKeyVIUCXABPJYHKDF-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.65
Rot. Bonds3

About 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide

1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 114600956) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID114600956
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1cnc(N2CCNCC2C(=O)N(C)C)nc1
InChIInChI=1S/C12H19N5O2/c1-16(2)11(18)10-8-13-4-5-17(10)12-14-6-9(19-3)7-15-12/h6-7,10,13H,4-5,8H2,1-3H3
InChIKeyVIUCXABPJYHKDF-UHFFFAOYSA-N
XLogP-0.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide (CID 114600956) is 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide is COc1cnc(N2CCNCC2C(=O)N(C)C)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is VIUCXABPJYHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(2)11(18)10-8-13-4-5-17(10)12-14-6-9(19-3)7-15-12/h6-7,10,13H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 114600956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).