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

C13H23N3O — CID 103431515

IUPAC(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCCN(CC)CCc1ncc([C@H](C)O)c(C)n1
InChIInChI=1S/C13H23N3O/c1-5-16(6-2)8-7-13-14-9-12(11(4)17)10(3)15-13/h9,11,17H,5-8H2,1-4H3/t11-/m0/s1
InChIKeySBOHTZNUFRCWHB-NSHDSACASA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds6

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

(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431515) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431515
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCCN(CC)CCc1ncc([C@H](C)O)c(C)n1
InChIInChI=1S/C13H23N3O/c1-5-16(6-2)8-7-13-14-9-12(11(4)17)10(3)15-13/h9,11,17H,5-8H2,1-4H3/t11-/m0/s1
InChIKeySBOHTZNUFRCWHB-NSHDSACASA-N
XLogP1.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103150772
(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431529
(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
2-[5-(chloromethyl)-4-propan-2-ylpyrimidin-2-yl]-N,N-diethylethanamine
CID 114205429
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
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-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol
CID 103431479
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
CID 94607488
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol (CID 103431515) is (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol is CCN(CC)CCc1ncc([C@H](C)O)c(C)n1.
What is the InChIKey of (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is SBOHTZNUFRCWHB-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16(6-2)8-7-13-14-9-12(11(4)17)10(3)15-13/h9,11,17H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).