2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine

C15H25N3O — CID 80962786

IUPAC2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(OCC2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14-17-12(16)9-13(18-14)19-10-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyXVSLRPXRCIJGBA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds3

About 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine

2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine (PubChem CID 80962786) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
PubChem CID80962786
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(OCC2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14-17-12(16)9-13(18-14)19-10-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyXVSLRPXRCIJGBA-UHFFFAOYSA-N
XLogP3.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
CID 80966379
6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774501
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962886
2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451224
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192
4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine
CID 80544505
4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329
2-(cyclohexylmethoxy)quinolin-6-amine
CID 62382729

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine (CID 80962786) is 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine is CC(C)(C)c1nc(N)cc(OCC2CCCCC2)n1.
What is the InChIKey of 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine?
The InChIKey is XVSLRPXRCIJGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)14-17-12(16)9-13(18-14)19-10-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine?
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80962786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).