4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile

C10H14N4O — CID 116647027

IUPAC4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOC(C)Cc1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C10H14N4O/c1-6(15-3)4-9-13-7(2)8(5-11)10(12)14-9/h6H,4H2,1-3H3,(H2,12,13,14)
InChIKeySIHKLFJQQGVWCF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile

4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 116647027) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
PubChem CID116647027
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOC(C)Cc1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C10H14N4O/c1-6(15-3)4-9-13-7(2)8(5-11)10(12)14-9/h6H,4H2,1-3H3,(H2,12,13,14)
InChIKeySIHKLFJQQGVWCF-UHFFFAOYSA-N
XLogP0.82
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile 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-amino-2-(ethoxymethyl)-6-methylpyrimidine-5-carbonitrile
CID 116647044
4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
CID 116646992
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile
CID 116647054
4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116782061
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
4-amino-2-methyl-6-(sulfanylmethyl)pyrimidine-5-carbonitrile
CID 57237902
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile (CID 116647027) is 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile is COC(C)Cc1nc(C)c(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is SIHKLFJQQGVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(15-3)4-9-13-7(2)8(5-11)10(12)14-9/h6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116647027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).