(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol

C11H18N2O2 — CID 103431529

IUPAC(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOCCCc1ncc([C@H](C)O)c(C)n1
InChIInChI=1S/C11H18N2O2/c1-8-10(9(2)14)7-12-11(13-8)5-4-6-15-3/h7,9,14H,4-6H2,1-3H3/t9-/m0/s1
InChIKeySNULOOQNYACFNN-VIFPVBQESA-N
MW210.28 g/mol
LogP1.42
Rot. Bonds5

About (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431529) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431529
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOCCCc1ncc([C@H](C)O)c(C)n1
InChIInChI=1S/C11H18N2O2/c1-8-10(9(2)14)7-12-11(13-8)5-4-6-15-3/h7,9,14H,4-6H2,1-3H3/t9-/m0/s1
InChIKeySNULOOQNYACFNN-VIFPVBQESA-N
XLogP1.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103150772
(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431515
1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 102929088
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 62770681
(1R)-1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 103431391
(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295
2-butyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 79412493
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
2-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 65092297
(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431412

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431529) is (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol is COCCCc1ncc([C@H](C)O)c(C)n1.
What is the InChIKey of (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is SNULOOQNYACFNN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-10(9(2)14)7-12-11(13-8)5-4-6-15-3/h7,9,14H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 210.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).