N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine

C15H25N3O — CID 82458344

IUPACN-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
SMILESCCCCNc1cc(OC)nc(C2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-3-4-10-16-13-11-14(19-2)18-15(17-13)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyUERVCZOLZSJSEC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.74
Rot. Bonds6

About N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine

N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine (PubChem CID 82458344) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
PubChem CID82458344
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
SMILESCCCCNc1cc(OC)nc(C2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-3-4-10-16-13-11-14(19-2)18-15(17-13)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyUERVCZOLZSJSEC-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.74
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

2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456372
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 82458345
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine (CID 82458344) is N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine is CCCCNc1cc(OC)nc(C2CCCCC2)n1.
What is the InChIKey of N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine?
The InChIKey is UERVCZOLZSJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-10-16-13-11-14(19-2)18-15(17-13)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine?
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 82458344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).