N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

C19H26N4O — CID 109263888

IUPACN-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C19H26N4O/c1-5-6-11-23(4)18(24)15-12-20-19(21-13-15)22-17-10-8-7-9-16(17)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,21,22)
InChIKeyFFNQXMKCUGAFDF-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.22
Rot. Bonds7

About N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109263888) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109263888
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C19H26N4O/c1-5-6-11-23(4)18(24)15-12-20-19(21-13-15)22-17-10-8-7-9-16(17)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,21,22)
InChIKeyFFNQXMKCUGAFDF-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125688
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262614
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256139
N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109263888) is N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccccc2C(C)C)nc1.
What is the InChIKey of N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is FFNQXMKCUGAFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-11-23(4)18(24)15-12-20-19(21-13-15)22-17-10-8-7-9-16(17)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,21,22).
What are the key properties of N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).