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

C19H26N4O — CID 112847563

IUPAC2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-5-11-23(12-6-2)19(24)17-13-18(21-15(4)20-17)22-16-9-7-14(3)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,21,22)
InChIKeyZLIIFUCCZBAHAJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.10
Rot. Bonds7

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

2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 112847563) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID112847563
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-5-11-23(12-6-2)19(24)17-13-18(21-15(4)20-17)22-16-9-7-14(3)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,21,22)
InChIKeyZLIIFUCCZBAHAJ-UHFFFAOYSA-N
XLogP4.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847620
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847628
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]butanamide
CID 50748313
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 112847563) is 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is ZLIIFUCCZBAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-11-23(12-6-2)19(24)17-13-18(21-15(4)20-17)22-16-9-7-14(3)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).