1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide

C15H25N5O — CID 110259080

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1c1nc(C)cc(C)n1
InChIInChI=1S/C15H25N5O/c1-10(2)19-6-7-20(13(9-19)14(21)16-5)15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9H2,1-5H3,(H,16,21)
InChIKeyVFXYSGKHRMRJKB-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.74
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110259080) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID110259080
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1c1nc(C)cc(C)n1
InChIInChI=1S/C15H25N5O/c1-10(2)19-6-7-20(13(9-19)14(21)16-5)15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9H2,1-5H3,(H,16,21)
InChIKeyVFXYSGKHRMRJKB-UHFFFAOYSA-N
XLogP0.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-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-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide (CID 110259080) is 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide is CNC(=O)C1CN(C(C)C)CCN1c1nc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is VFXYSGKHRMRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-10(2)19-6-7-20(13(9-19)14(21)16-5)15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9H2,1-5H3,(H,16,21).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110259080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).