[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol

C12H18N2O3 — CID 114215313

IUPAC[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
SMILESCOC1CCCC(Oc2ncncc2CO)C1
InChIInChI=1S/C12H18N2O3/c1-16-10-3-2-4-11(5-10)17-12-9(7-15)6-13-8-14-12/h6,8,10-11,15H,2-5,7H2,1H3
InChIKeyLRPQQORVSKUPIF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.31
Rot. Bonds4

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

[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol (PubChem CID 114215313) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
PubChem CID114215313
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
SMILESCOC1CCCC(Oc2ncncc2CO)C1
InChIInChI=1S/C12H18N2O3/c1-16-10-3-2-4-11(5-10)17-12-9(7-15)6-13-8-14-12/h6,8,10-11,15H,2-5,7H2,1H3
InChIKeyLRPQQORVSKUPIF-UHFFFAOYSA-N
XLogP1.31
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.31
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-5-yl]methanol?
The IUPAC name of [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol (CID 114215313) is [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol?
The canonical SMILES for [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol is COC1CCCC(Oc2ncncc2CO)C1.
What is the InChIKey of [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol?
The InChIKey is LRPQQORVSKUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-10-3-2-4-11(5-10)17-12-9(7-15)6-13-8-14-12/h6,8,10-11,15H,2-5,7H2,1H3.
What are the key properties of [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol?
[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol has a molecular weight of 238.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol is sourced from PubChem (CID 114215313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).