N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109311906

IUPACN-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C19H26N4O2/c1-13(2)9-11-20-18(24)16-10-12-21-19(23-16)22-15-7-5-6-8-17(15)25-14(3)4/h5-8,10,12-14H,9,11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeySUDVJIMYMYAJHI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.78
Rot. Bonds8

About N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109311906) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109311906
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C19H26N4O2/c1-13(2)9-11-20-18(24)16-10-12-21-19(23-16)22-15-7-5-6-8-17(15)25-14(3)4/h5-8,10,12-14H,9,11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeySUDVJIMYMYAJHI-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
N-(3-methylbutyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311907
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311869
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-(2-bromo-4-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311936
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109311906) is N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)CCNC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is SUDVJIMYMYAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)9-11-20-18(24)16-10-12-21-19(23-16)22-15-7-5-6-8-17(15)25-14(3)4/h5-8,10,12-14H,9,11H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).