(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol

C15H24N2O2 — CID 103431656

IUPAC(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOC1(c2ncc([C@H](C)O)c(C)n2)CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-11-13(12(2)18)10-16-14(17-11)15(19-3)8-6-4-5-7-9-15/h10,12,18H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyRDCDBQGCTOWXNN-LBPRGKRZSA-N
MW264.37 g/mol
LogP3.03
Rot. Bonds3

About (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431656) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431656
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOC1(c2ncc([C@H](C)O)c(C)n2)CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-11-13(12(2)18)10-16-14(17-11)15(19-3)8-6-4-5-7-9-15/h10,12,18H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyRDCDBQGCTOWXNN-LBPRGKRZSA-N
XLogP3.03
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431253
2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 104611567
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
CID 116778439
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 104611568

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431656) is (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol is COC1(c2ncc([C@H](C)O)c(C)n2)CCCCCC1.
What is the InChIKey of (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is RDCDBQGCTOWXNN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-13(12(2)18)10-16-14(17-11)15(19-3)8-6-4-5-7-9-15/h10,12,18H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).