2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile

C11H16N4 — CID 107545205

IUPAC2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCCCC(C)(C)Nc1nccc(C#N)n1
InChIInChI=1S/C11H16N4/c1-4-6-11(2,3)15-10-13-7-5-9(8-12)14-10/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyPEDHQRCKJGIENU-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile

2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107545205) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
PubChem CID107545205
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCCCC(C)(C)Nc1nccc(C#N)n1
InChIInChI=1S/C11H16N4/c1-4-6-11(2,3)15-10-13-7-5-9(8-12)14-10/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyPEDHQRCKJGIENU-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107545203
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
CID 106185915
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyrimidine-4-carbonitrile
CID 106254224
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-(4-butylanilino)pyrimidine-4-carbonitrile
CID 107543659
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile (CID 107545205) is 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile is CCCC(C)(C)Nc1nccc(C#N)n1.
What is the InChIKey of 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is PEDHQRCKJGIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-6-11(2,3)15-10-13-7-5-9(8-12)14-10/h5,7H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile?
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).