4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine

C12H19N3O2 — CID 112635329

IUPAC4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine
SMILESCOc1cc(C)nc(OC2CCC(N)CC2)n1
InChIInChI=1S/C12H19N3O2/c1-8-7-11(16-2)15-12(14-8)17-10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3
InChIKeyFKVYLNMWGMUJHB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds3

About 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine

4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine (PubChem CID 112635329) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine
PubChem CID112635329
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine
SMILESCOc1cc(C)nc(OC2CCC(N)CC2)n1
InChIInChI=1S/C12H19N3O2/c1-8-7-11(16-2)15-12(14-8)17-10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3
InChIKeyFKVYLNMWGMUJHB-UHFFFAOYSA-N
XLogP1.44
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine (CID 112635329) is 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine is COc1cc(C)nc(OC2CCC(N)CC2)n1.
What is the InChIKey of 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
The InChIKey is FKVYLNMWGMUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-7-11(16-2)15-12(14-8)17-10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3.
What are the key properties of 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 112635329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).