[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol

C13H22N4O — CID 99930583

IUPAC[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
SMILESCCc1ncc(CN2CCN(C)[C@H](CO)C2)cn1
InChIInChI=1S/C13H22N4O/c1-3-13-14-6-11(7-15-13)8-17-5-4-16(2)12(9-17)10-18/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyCEOCCEXRPAIYBX-LBPRGKRZSA-N
MW250.35 g/mol
LogP0.15
Rot. Bonds4

About [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol

[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 99930583) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
PubChem CID99930583
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
SMILESCCc1ncc(CN2CCN(C)[C@H](CO)C2)cn1
InChIInChI=1S/C13H22N4O/c1-3-13-14-6-11(7-15-13)8-17-5-4-16(2)12(9-17)10-18/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyCEOCCEXRPAIYBX-LBPRGKRZSA-N
XLogP0.15
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 77080984
[(2R)-4-ethyl-1-methylpiperazin-2-yl]methanol
CID 147759267
(3aS,6aR)-5-[(2-ethylpyrimidin-5-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;formic acid
CID 154909792
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
[(2R)-4-[(5-chlorofuran-2-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99933061
[(2R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99973684
N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide
CID 99927646
[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 99929213
1-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 56760339
1-[[(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95231138
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol (CID 99930583) is [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol is CCc1ncc(CN2CCN(C)[C@H](CO)C2)cn1.
What is the InChIKey of [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is CEOCCEXRPAIYBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-13-14-6-11(7-15-13)8-17-5-4-16(2)12(9-17)10-18/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol?
[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 99930583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).