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

C14H17N7O — CID 71794816

IUPACN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3cnccn3)ncn2)CC1
InChIInChI=1S/C14H17N7O/c1-20-4-6-21(7-5-20)13-8-12(17-10-18-13)19-14(22)11-9-15-2-3-16-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,19,22)
InChIKeyPCRBCKKAMLLNOK-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.27
Rot. Bonds3

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

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide (PubChem CID 71794816) 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]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
PubChem CID71794816
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3cnccn3)ncn2)CC1
InChIInChI=1S/C14H17N7O/c1-20-4-6-21(7-5-20)13-8-12(17-10-18-13)19-14(22)11-9-15-2-3-16-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,19,22)
InChIKeyPCRBCKKAMLLNOK-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-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90543921
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
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
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-nitrobenzamide
CID 90543897
N-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 4065138
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2H-benzotriazole-5-carboxamide
CID 90543955
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide (CID 71794816) is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide is CN1CCN(c2cc(NC(=O)c3cnccn3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is PCRBCKKAMLLNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-20-4-6-21(7-5-20)13-8-12(17-10-18-13)19-14(22)11-9-15-2-3-16-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,19,22).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide?
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-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]pyrazine-2-carboxamide is sourced from PubChem (CID 71794816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).