[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol

C14H22N2O2 — CID 114215282

IUPAC[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
SMILESCC1CC(Oc2ncncc2CO)CC(C)(C)C1
InChIInChI=1S/C14H22N2O2/c1-10-4-12(6-14(2,3)5-10)18-13-11(8-17)7-15-9-16-13/h7,9-10,12,17H,4-6,8H2,1-3H3
InChIKeyMWUDTCNPXLEDKI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.56
Rot. Bonds3

About [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol

[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol (PubChem CID 114215282) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
PubChem CID114215282
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
SMILESCC1CC(Oc2ncncc2CO)CC(C)(C)C1
InChIInChI=1S/C14H22N2O2/c1-10-4-12(6-14(2,3)5-10)18-13-11(8-17)7-15-9-16-13/h7,9-10,12,17H,4-6,8H2,1-3H3
InChIKeyMWUDTCNPXLEDKI-UHFFFAOYSA-N
XLogP2.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol?
The IUPAC name of [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol (CID 114215282) is [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol?
The canonical SMILES for [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol is CC1CC(Oc2ncncc2CO)CC(C)(C)C1.
What is the InChIKey of [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol?
The InChIKey is MWUDTCNPXLEDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-12(6-14(2,3)5-10)18-13-11(8-17)7-15-9-16-13/h7,9-10,12,17H,4-6,8H2,1-3H3.
What are the key properties of [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol?
[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol is sourced from PubChem (CID 114215282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).