4-(3-methoxycyclohexyl)oxypyrimidin-2-amine

C11H17N3O2 — CID 80876113

IUPAC4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
SMILESCOC1CCCC(Oc2ccnc(N)n2)C1
InChIInChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14)
InChIKeyUCUBNYFFAAJULV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.40
Rot. Bonds3

About 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine

4-(3-methoxycyclohexyl)oxypyrimidin-2-amine (PubChem CID 80876113) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
PubChem CID80876113
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
SMILESCOC1CCCC(Oc2ccnc(N)n2)C1
InChIInChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14)
InChIKeyUCUBNYFFAAJULV-UHFFFAOYSA-N
XLogP1.40
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine (CID 80876113) is 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine is COC1CCCC(Oc2ccnc(N)n2)C1.
What is the InChIKey of 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
The InChIKey is UCUBNYFFAAJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14).
What are the key properties of 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
4-(3-methoxycyclohexyl)oxypyrimidin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80876113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).