6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide

C21H29N5O — CID 109319017

IUPAC6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-4-11-22-21-23-16(3)14-19(25-21)20(27)24-17-5-7-18(8-6-17)26-12-9-15(2)10-13-26/h5-8,14-15H,4,9-13H2,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyYZDNVEZXVWKQPB-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.10
Rot. Bonds6

About 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide

6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109319017) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109319017
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-4-11-22-21-23-16(3)14-19(25-21)20(27)24-17-5-7-18(8-6-17)26-12-9-15(2)10-13-26/h5-8,14-15H,4,9-13H2,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyYZDNVEZXVWKQPB-UHFFFAOYSA-N
XLogP4.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109333156
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268
6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320184
N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318989
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109318997
N-(3,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318961
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide (CID 109319017) is 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nc(C)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)n1.
What is the InChIKey of 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is YZDNVEZXVWKQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-11-22-21-23-16(3)14-19(25-21)20(27)24-17-5-7-18(8-6-17)26-12-9-15(2)10-13-26/h5-8,14-15H,4,9-13H2,1-3H3,(H,24,27)(H,22,23,25).
What are the key properties of 6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide?
6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.10, 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-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).