2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C17H21N7O — CID 109361421

IUPAC2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(c3ncccn3)CC2)nc(C)n1
InChIInChI=1S/C17H21N7O/c1-3-5-18-16(25)14-12-15(22-13(2)21-14)23-8-10-24(11-9-23)17-19-6-4-7-20-17/h3-4,6-7,12H,1,5,8-11H2,2H3,(H,18,25)
InChIKeyJBIAEDUROQROHX-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.82
Rot. Bonds5

About 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109361421) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109361421
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(c3ncccn3)CC2)nc(C)n1
InChIInChI=1S/C17H21N7O/c1-3-5-18-16(25)14-12-15(22-13(2)21-14)23-8-10-24(11-9-23)17-19-6-4-7-20-17/h3-4,6-7,12H,1,5,8-11H2,2H3,(H,18,25)
InChIKeyJBIAEDUROQROHX-UHFFFAOYSA-N
XLogP0.82
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
2-methyl-N-(4-methylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373247
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810
2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361353
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109361421) is 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is C=CCNC(=O)c1cc(N2CCN(c3ncccn3)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is JBIAEDUROQROHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-5-18-16(25)14-12-15(22-13(2)21-14)23-8-10-24(11-9-23)17-19-6-4-7-20-17/h3-4,6-7,12H,1,5,8-11H2,2H3,(H,18,25).
What are the key properties of 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).