4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine

C12H19N3O — CID 80878316

IUPAC4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
SMILESCC1CC(C)CC(Oc2ccnc(N)n2)C1
InChIInChI=1S/C12H19N3O/c1-8-5-9(2)7-10(6-8)16-11-3-4-14-12(13)15-11/h3-4,8-10H,5-7H2,1-2H3,(H2,13,14,15)
InChIKeyCYPXHSRCCIZMDG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds2

About 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine

4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80878316) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80878316
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
SMILESCC1CC(C)CC(Oc2ccnc(N)n2)C1
InChIInChI=1S/C12H19N3O/c1-8-5-9(2)7-10(6-8)16-11-3-4-14-12(13)15-11/h3-4,8-10H,5-7H2,1-2H3,(H2,13,14,15)
InChIKeyCYPXHSRCCIZMDG-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine (CID 80878316) is 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine is CC1CC(C)CC(Oc2ccnc(N)n2)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is CYPXHSRCCIZMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-5-9(2)7-10(6-8)16-11-3-4-14-12(13)15-11/h3-4,8-10H,5-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80878316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).