3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol

C10H17N3O2 — CID 66174808

IUPAC3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCc1cc(NCC(O)CO)nc(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-8-4-10(13-7(2)12-8)11-5-9(15)6-14/h4,9,14-15H,3,5-6H2,1-2H3,(H,11,12,13)
InChIKeyZESHJLVALYKBFM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.11
Rot. Bonds5

About 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol

3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 66174808) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID66174808
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCc1cc(NCC(O)CO)nc(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-8-4-10(13-7(2)12-8)11-5-9(15)6-14/h4,9,14-15H,3,5-6H2,1-2H3,(H,11,12,13)
InChIKeyZESHJLVALYKBFM-UHFFFAOYSA-N
XLogP0.11
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
3-[[6-ethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 10426567
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269253
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159886
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol (CID 66174808) is 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol is CCc1cc(NCC(O)CO)nc(C)n1.
What is the InChIKey of 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is ZESHJLVALYKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-8-4-10(13-7(2)12-8)11-5-9(15)6-14/h4,9,14-15H,3,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66174808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).