2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

C19H25ClN4O — CID 109328844

IUPAC2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NCc2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-4-10-24(11-5-2)18(25)17-12-14(3)22-19(23-17)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,22,23)
InChIKeyPGOWHDJSYSWYEQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.31
Rot. Bonds8

About 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109328844) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109328844
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NCc2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-4-10-24(11-5-2)18(25)17-12-14(3)22-19(23-17)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,22,23)
InChIKeyPGOWHDJSYSWYEQ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328451
6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109327813
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109328910
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334233
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537
methyl 2-[[4-(dipropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109334259
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 71945279
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 109328844) is 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is PGOWHDJSYSWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-4-10-24(11-5-2)18(25)17-12-14(3)22-19(23-17)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).