2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile

C15H22N4O — CID 107545041

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCC1(CC)CC(Nc2nc(C)cc(C#N)n2)CCO1
InChIInChI=1S/C15H22N4O/c1-4-15(5-2)9-12(6-7-20-15)18-14-17-11(3)8-13(10-16)19-14/h8,12H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyGYZKZDBJDXDHBF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.81
Rot. Bonds4

About 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545041) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107545041
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCC1(CC)CC(Nc2nc(C)cc(C#N)n2)CCO1
InChIInChI=1S/C15H22N4O/c1-4-15(5-2)9-12(6-7-20-15)18-14-17-11(3)8-13(10-16)19-14/h8,12H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyGYZKZDBJDXDHBF-UHFFFAOYSA-N
XLogP2.81
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-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

2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile
CID 83036670
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
2-amino-4-[(2,2-diethyloxan-4-yl)amino]benzonitrile
CID 83027822
4-bromo-2-[(2,2-diethyloxan-4-yl)amino]benzonitrile
CID 114902117
N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82765048
N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106578832
N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659872
N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine
CID 106549907

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107545041) is 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile is CCC1(CC)CC(Nc2nc(C)cc(C#N)n2)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is GYZKZDBJDXDHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-15(5-2)9-12(6-7-20-15)18-14-17-11(3)8-13(10-16)19-14/h8,12H,4-7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).