2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile

C9H11N3O3 — CID 115355684

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile
SMILESCOc1cc(OC)nc(C(C#N)CO)n1
InChIInChI=1S/C9H11N3O3/c1-14-7-3-8(15-2)12-9(11-7)6(4-10)5-13/h3,6,13H,5H2,1-2H3
InChIKeySZOCBALSLDFFGD-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.09
Rot. Bonds4

About 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile

2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile (PubChem CID 115355684) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile
PubChem CID115355684
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile
SMILESCOc1cc(OC)nc(C(C#N)CO)n1
InChIInChI=1S/C9H11N3O3/c1-14-7-3-8(15-2)12-9(11-7)6(4-10)5-13/h3,6,13H,5H2,1-2H3
InChIKeySZOCBALSLDFFGD-UHFFFAOYSA-N
XLogP0.09
TPSA88.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile
CID 130524058
3-hydroxy-2-pyrimidin-2-ylpropanenitrile
CID 63215083
2-(1,2,4-benzotriazin-3-yl)-3-hydroxypropanenitrile
CID 103205059
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
3-chloro-2-(6-methoxy-2-pyridinyl)propanenitrile
CID 63588572
2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-ethylpentan-1-ol
CID 18966120
3-hydroxy-2-quinazolin-2-ylpropanenitrile
CID 114789796
(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile (CID 115355684) is 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile is COc1cc(OC)nc(C(C#N)CO)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile?
The InChIKey is SZOCBALSLDFFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-14-7-3-8(15-2)12-9(11-7)6(4-10)5-13/h3,6,13H,5H2,1-2H3.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile?
2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile has a molecular weight of 209.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile is sourced from PubChem (CID 115355684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).