2-(pentan-3-ylamino)pyrimidine-4-carbonitrile

C10H14N4 — CID 107543275

IUPAC2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
SMILESCCC(CC)Nc1nccc(C#N)n1
InChIInChI=1S/C10H14N4/c1-3-8(4-2)13-10-12-6-5-9(7-11)14-10/h5-6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyJVANDDFSQAPZTK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.95
Rot. Bonds4

About 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile

2-(pentan-3-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107543275) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
PubChem CID107543275
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
SMILESCCC(CC)Nc1nccc(C#N)n1
InChIInChI=1S/C10H14N4/c1-3-8(4-2)13-10-12-6-5-9(7-11)14-10/h5-6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyJVANDDFSQAPZTK-UHFFFAOYSA-N
XLogP1.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107543934
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107545203

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile (CID 107543275) is 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile is CCC(CC)Nc1nccc(C#N)n1.
What is the InChIKey of 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is JVANDDFSQAPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-8(4-2)13-10-12-6-5-9(7-11)14-10/h5-6,8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile?
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-3-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).