3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile

C9H12N4O2 — CID 164908424

IUPAC3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile
SMILESCOc1nc(N)nc(OC)c1CCC#N
InChIInChI=1S/C9H12N4O2/c1-14-7-6(4-3-5-10)8(15-2)13-9(11)12-7/h3-4H2,1-2H3,(H2,11,12,13)
InChIKeyAZLIFKGLIQWEHB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds4

About 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile

3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile (PubChem CID 164908424) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile
PubChem CID164908424
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile
SMILESCOc1nc(N)nc(OC)c1CCC#N
InChIInChI=1S/C9H12N4O2/c1-14-7-6(4-3-5-10)8(15-2)13-9(11)12-7/h3-4H2,1-2H3,(H2,11,12,13)
InChIKeyAZLIFKGLIQWEHB-UHFFFAOYSA-N
XLogP0.53
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 164907958
5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
CID 105450108
2-(2-amino-4,6-dimethoxypyrimidin-5-yl)acetonitrile;tert-butyl N-[5-(cyanomethyl)-4,6-dimethoxypyrimidin-2-yl]carbamate
CID 175788857
4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 175471206
3-[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]propanenitrile
CID 22313246
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391
6-chloro-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225680
4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 175471466
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
6-bromo-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907891
[5-(cyanomethyl)-4,6-dimethoxypyrimidin-2-yl]carbamic acid
CID 174174238

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile?
The IUPAC name of 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile (CID 164908424) is 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile.
What is the SMILES notation for 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile?
The canonical SMILES for 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile is COc1nc(N)nc(OC)c1CCC#N.
What is the InChIKey of 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile?
The InChIKey is AZLIFKGLIQWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-14-7-6(4-3-5-10)8(15-2)13-9(11)12-7/h3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile?
3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile has a molecular weight of 208.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile is sourced from PubChem (CID 164908424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).