6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide

C18H24N4O — CID 109360211

IUPAC6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N(CC)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-4-11-19-18(23)16-12-17(21-14(3)20-16)22(5-2)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,23)
InChIKeyZVJGGRPDIHPDDH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds7

About 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide

6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109360211) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109360211
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N(CC)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-4-11-19-18(23)16-12-17(21-14(3)20-16)22(5-2)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,23)
InChIKeyZVJGGRPDIHPDDH-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370613
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853212
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373286
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846418
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide (CID 109360211) is 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(N(CC)Cc2ccccc2)nc(C)n1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is ZVJGGRPDIHPDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-11-19-18(23)16-12-17(21-14(3)20-16)22(5-2)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,23).
What are the key properties of 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).