N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide

C17H21ClN4O — CID 109263901

IUPACN-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cc(Cl)ccc2C)nc1
InChIInChI=1S/C17H21ClN4O/c1-4-5-8-22(3)16(23)13-10-19-17(20-11-13)21-15-9-14(18)7-6-12(15)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,21)
InChIKeyULHGAJMDALORHD-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.05
Rot. Bonds6

About N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide

N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109263901) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
PubChem CID109263901
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cc(Cl)ccc2C)nc1
InChIInChI=1S/C17H21ClN4O/c1-4-5-8-22(3)16(23)13-10-19-17(20-11-13)21-15-9-14(18)7-6-12(15)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,21)
InChIKeyULHGAJMDALORHD-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109263888
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
CID 109175552
2-(1,3-benzodioxol-5-ylamino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263949
2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109269044

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide (CID 109263901) is N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2cc(Cl)ccc2C)nc1.
What is the InChIKey of N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is ULHGAJMDALORHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-5-8-22(3)16(23)13-10-19-17(20-11-13)21-15-9-14(18)7-6-12(15)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,21).
What are the key properties of N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).