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

C10H17N3O3 — CID 66326521

IUPAC3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCOc1cc(NCC(O)CO)nc(C)n1
InChIInChI=1S/C10H17N3O3/c1-3-16-10-4-9(12-7(2)13-10)11-5-8(15)6-14/h4,8,14-15H,3,5-6H2,1-2H3,(H,11,12,13)
InChIKeyHDTFYSAKHLSVHQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.05
Rot. Bonds6

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

3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 66326521) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID66326521
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCOc1cc(NCC(O)CO)nc(C)n1
InChIInChI=1S/C10H17N3O3/c1-3-16-10-4-9(12-7(2)13-10)11-5-8(15)6-14/h4,8,14-15H,3,5-6H2,1-2H3,(H,11,12,13)
InChIKeyHDTFYSAKHLSVHQ-UHFFFAOYSA-N
XLogP-0.05
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66333544
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetamide
CID 66325856
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol (CID 66326521) is 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol is CCOc1cc(NCC(O)CO)nc(C)n1.
What is the InChIKey of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is HDTFYSAKHLSVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-16-10-4-9(12-7(2)13-10)11-5-8(15)6-14/h4,8,14-15H,3,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 227.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66326521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).