6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile

C13H18N4 — CID 115143439

IUPAC6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)CCC2CCC2)n1
InChIInChI=1S/C13H18N4/c1-10-15-12(9-14)8-13(16-10)17(2)7-6-11-4-3-5-11/h8,11H,3-7H2,1-2H3
InChIKeyMKHCAWFOGZRXBX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds4

About 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile

6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143439) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
PubChem CID115143439
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)CCC2CCC2)n1
InChIInChI=1S/C13H18N4/c1-10-15-12(9-14)8-13(16-10)17(2)7-6-11-4-3-5-11/h8,11H,3-7H2,1-2H3
InChIKeyMKHCAWFOGZRXBX-UHFFFAOYSA-N
XLogP2.28
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile (CID 115143439) is 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(N(C)CCC2CCC2)n1.
What is the InChIKey of 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The InChIKey is MKHCAWFOGZRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-15-12(9-14)8-13(16-10)17(2)7-6-11-4-3-5-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).