2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile

C15H24N4 — CID 107544876

IUPAC2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCCCCCC(C)(C)CNc1nc(C)cc(C#N)n1
InChIInChI=1S/C15H24N4/c1-5-6-7-8-15(3,4)11-17-14-18-12(2)9-13(10-16)19-14/h9H,5-8,11H2,1-4H3,(H,17,18,19)
InChIKeyNGQWDZVPFXXWMW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.68
Rot. Bonds7

About 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile

2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544876) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107544876
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCCCCCC(C)(C)CNc1nc(C)cc(C#N)n1
InChIInChI=1S/C15H24N4/c1-5-6-7-8-15(3,4)11-17-14-18-12(2)9-13(10-16)19-14/h9H,5-8,11H2,1-4H3,(H,17,18,19)
InChIKeyNGQWDZVPFXXWMW-UHFFFAOYSA-N
XLogP3.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-pentoxypyrimidine-4-carbonitrile
CID 107545813
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552758
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile (CID 107544876) is 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile is CCCCCC(C)(C)CNc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is NGQWDZVPFXXWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-6-7-8-15(3,4)11-17-14-18-12(2)9-13(10-16)19-14/h9H,5-8,11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile?
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).