N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine

C15H19N3O — CID 69178153

IUPACN-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCCCCNc1cc(-c2ccccc2OC)ncn1
InChIInChI=1S/C15H19N3O/c1-3-4-9-16-15-10-13(17-11-18-15)12-7-5-6-8-14(12)19-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKeyOOJXZXWFZBUGLN-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.36
Rot. Bonds6

About N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine

N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 69178153) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID69178153
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCCCCNc1cc(-c2ccccc2OC)ncn1
InChIInChI=1S/C15H19N3O/c1-3-4-9-16-15-10-13(17-11-18-15)12-7-5-6-8-14(12)19-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKeyOOJXZXWFZBUGLN-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 171366922
6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 69127762
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
4-chloro-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]benzene-1,3-diamine
CID 68910908
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
6-N-butyl-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855106
2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzaldehyde
CID 158811665

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine (CID 69178153) is N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine is CCCCNc1cc(-c2ccccc2OC)ncn1.
What is the InChIKey of N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is OOJXZXWFZBUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-9-16-15-10-13(17-11-18-15)12-7-5-6-8-14(12)19-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine?
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 69178153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).