6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide

C20H25N5O — CID 109320184

IUPAC6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H25N5O/c1-3-11-21-20-22-15(2)14-18(24-20)19(26)23-16-7-9-17(10-8-16)25-12-5-4-6-13-25/h3,7-10,14H,1,4-6,11-13H2,2H3,(H,23,26)(H,21,22,24)
InChIKeyAEOLCZRATKFMNG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.63
Rot. Bonds6

About 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide

6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109320184) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109320184
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H25N5O/c1-3-11-21-20-22-15(2)14-18(24-20)19(26)23-16-7-9-17(10-8-16)25-12-5-4-6-13-25/h3,7-10,14H,1,4-6,11-13H2,2H3,(H,23,26)(H,21,22,24)
InChIKeyAEOLCZRATKFMNG-UHFFFAOYSA-N
XLogP3.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
2-(2-fluoroanilino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109336754
6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109319017
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
6-methyl-N-(2-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320120
6-methyl-2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109333156
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320177
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109373734

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109320184) is 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1nc(C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is AEOLCZRATKFMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-11-21-20-22-15(2)14-18(24-20)19(26)23-16-7-9-17(10-8-16)25-12-5-4-6-13-25/h3,7-10,14H,1,4-6,11-13H2,2H3,(H,23,26)(H,21,22,24).
What are the key properties of 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).