6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile

C11H16N4 — CID 107543261

IUPAC6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCCC(C)(C)Nc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H16N4/c1-5-11(3,4)15-10-13-8(2)6-9(7-12)14-10/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyMQIWETQQRFHVSU-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.26
Rot. Bonds3

About 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile

6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107543261) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
PubChem CID107543261
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCCC(C)(C)Nc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H16N4/c1-5-11(3,4)15-10-13-8(2)6-9(7-12)14-10/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyMQIWETQQRFHVSU-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
CID 107543089
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
CID 115774026

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile (CID 107543261) is 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile is CCC(C)(C)Nc1nc(C)cc(C#N)n1.
What is the InChIKey of 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is MQIWETQQRFHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-11(3,4)15-10-13-8(2)6-9(7-12)14-10/h6H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile?
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).