6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile

C11H16N4 — CID 115143037

IUPAC6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
SMILESCC(C)(C)CCNc1cc(C#N)ncn1
InChIInChI=1S/C11H16N4/c1-11(2,3)4-5-13-10-6-9(7-12)14-8-15-10/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyMAXZLCYVUGGMKQ-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.20
Rot. Bonds3

About 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile

6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile (PubChem CID 115143037) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
PubChem CID115143037
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
SMILESCC(C)(C)CCNc1cc(C#N)ncn1
InChIInChI=1S/C11H16N4/c1-11(2,3)4-5-13-10-6-9(7-12)14-8-15-10/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyMAXZLCYVUGGMKQ-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-[[2-(4-bromophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 115143141
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
CID 167867833
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 166229612

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile (CID 115143037) is 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile is CC(C)(C)CCNc1cc(C#N)ncn1.
What is the InChIKey of 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile?
The InChIKey is MAXZLCYVUGGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-11(2,3)4-5-13-10-6-9(7-12)14-8-15-10/h6,8H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile?
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).