N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

C19H25ClN4O — CID 109328910

IUPACN-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-4-10-24(11-5-2)19-22-14(3)12-17(23-19)18(25)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,25)
InChIKeyNYCSGXHHFCLUCB-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.99
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109328910) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109328910
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-4-10-24(11-5-2)19-22-14(3)12-17(23-19)18(25)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,25)
InChIKeyNYCSGXHHFCLUCB-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330013
N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109325078
2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328844
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334146
N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (CID 109328910) is N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is CCCN(CCC)c1nc(C)cc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is NYCSGXHHFCLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-4-10-24(11-5-2)19-22-14(3)12-17(23-19)18(25)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).