2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

C19H25ClN4O — CID 109334233

IUPAC2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C19H25ClN4O/c1-5-9-24(10-6-2)18(25)17-11-14(4)21-19(23-17)22-16-12-15(20)8-7-13(16)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22,23)
InChIKeyFWUMKPLCKLYOOQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.75
Rot. Bonds7

About 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109334233) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109334233
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C19H25ClN4O/c1-5-9-24(10-6-2)18(25)17-11-14(4)21-19(23-17)22-16-12-15(20)8-7-13(16)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22,23)
InChIKeyFWUMKPLCKLYOOQ-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
methyl 2-[[4-(dipropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109334259
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329355
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328844
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332429

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 109334233) is 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is FWUMKPLCKLYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-5-9-24(10-6-2)18(25)17-11-14(4)21-19(23-17)22-16-12-15(20)8-7-13(16)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).