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

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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).