N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide

C14H17N7O — CID 90543989

IUPACN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3ncccn3)ncn2)CC1
InChIInChI=1S/C14H17N7O/c1-20-5-7-21(8-6-20)12-9-11(17-10-18-12)19-14(22)13-15-3-2-4-16-13/h2-4,9-10H,5-8H2,1H3,(H,17,18,19,22)
InChIKeyCAOWJVJYUPVURV-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.27
Rot. Bonds3

About N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide (PubChem CID 90543989) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
PubChem CID90543989
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3ncccn3)ncn2)CC1
InChIInChI=1S/C14H17N7O/c1-20-5-7-21(8-6-20)12-9-11(17-10-18-12)19-14(22)13-15-3-2-4-16-13/h2-4,9-10H,5-8H2,1H3,(H,17,18,19,22)
InChIKeyCAOWJVJYUPVURV-UHFFFAOYSA-N
XLogP0.27
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 71794816
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90543921
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-nitrobenzamide
CID 90543897
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2H-benzotriazole-5-carboxamide
CID 90543955

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide (CID 90543989) is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide is CN1CCN(c2cc(NC(=O)c3ncccn3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide?
The InChIKey is CAOWJVJYUPVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-20-5-7-21(8-6-20)12-9-11(17-10-18-12)19-14(22)13-15-3-2-4-16-13/h2-4,9-10H,5-8H2,1H3,(H,17,18,19,22).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide?
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 90543989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).