N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C20H28N4O2 — CID 109333690

IUPACN-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H28N4O2/c1-6-7-12-24(5)19(25)17-13-15(4)21-20(23-17)22-16-10-8-9-11-18(16)26-14(2)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,22,23)
InChIKeyNVGPBUOJPYHOIW-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.19
Rot. Bonds8

About N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109333690) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109333690
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H28N4O2/c1-6-7-12-24(5)19(25)17-13-15(4)21-20(23-17)22-16-10-8-9-11-18(16)26-14(2)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,22,23)
InChIKeyNVGPBUOJPYHOIW-UHFFFAOYSA-N
XLogP4.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320873
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109323210
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109333690) is N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is NVGPBUOJPYHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-7-12-24(5)19(25)17-13-15(4)21-20(23-17)22-16-10-8-9-11-18(16)26-14(2)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,22,23).
What are the key properties of N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).