1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide

C13H21N5O — CID 110259079

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)CCN1c1nc(C)cc(C)n1
InChIInChI=1S/C13H21N5O/c1-9-7-10(2)16-13(15-9)18-6-5-17(4)8-11(18)12(19)14-3/h7,11H,5-6,8H2,1-4H3,(H,14,19)
InChIKeyCUMJKNXBHGAFGX-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.04
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide (PubChem CID 110259079) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide
PubChem CID110259079
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)CCN1c1nc(C)cc(C)n1
InChIInChI=1S/C13H21N5O/c1-9-7-10(2)16-13(15-9)18-6-5-17(4)8-11(18)12(19)14-3/h7,11H,5-6,8H2,1-4H3,(H,14,19)
InChIKeyCUMJKNXBHGAFGX-UHFFFAOYSA-N
XLogP-0.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide (CID 110259079) is 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C)CCN1c1nc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide?
The InChIKey is CUMJKNXBHGAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-7-10(2)16-13(15-9)18-6-5-17(4)8-11(18)12(19)14-3/h7,11H,5-6,8H2,1-4H3,(H,14,19).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of -0.04, 2 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,4-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110259079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).