2-[(4-butylphenyl)methoxy]pyrimidin-4-amine

C15H19N3O — CID 142608819

IUPAC2-[(4-butylphenyl)methoxy]pyrimidin-4-amine
SMILESCCCCc1ccc(COc2nccc(N)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-3-4-12-5-7-13(8-6-12)11-19-15-17-10-9-14(16)18-15/h5-10H,2-4,11H2,1H3,(H2,16,17,18)
InChIKeyYFHIPARTJWOKPP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.98
Rot. Bonds6

About 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine

2-[(4-butylphenyl)methoxy]pyrimidin-4-amine (PubChem CID 142608819) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-butylphenyl)methoxy]pyrimidin-4-amine
PubChem CID142608819
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(4-butylphenyl)methoxy]pyrimidin-4-amine
SMILESCCCCc1ccc(COc2nccc(N)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-3-4-12-5-7-13(8-6-12)11-19-15-17-10-9-14(16)18-15/h5-10H,2-4,11H2,1H3,(H2,16,17,18)
InChIKeyYFHIPARTJWOKPP-UHFFFAOYSA-N
XLogP2.98
TPSA61.03 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]-1-(4-ethylphenyl)propan-1-one
CID 91226029
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86657016
2-propylsulfanylpyrimidin-4-amine
CID 565451
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 116798000
5-(4-butylphenyl)-6-methylpyrazin-2-amine
CID 20567040
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810
2-(methoxymethyl)pyrimidin-4-amine
CID 161338001
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
2-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 82284409
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine (CID 142608819) is 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine is CCCCc1ccc(COc2nccc(N)n2)cc1.
What is the InChIKey of 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine?
The InChIKey is YFHIPARTJWOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-4-12-5-7-13(8-6-12)11-19-15-17-10-9-14(16)18-15/h5-10H,2-4,11H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine?
2-[(4-butylphenyl)methoxy]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylphenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 142608819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).