2-(3-methylbutylamino)pyrimidine-4-carbonitrile

C10H14N4 — CID 107543385

IUPAC2-(3-methylbutylamino)pyrimidine-4-carbonitrile
SMILESCC(C)CCNc1nccc(C#N)n1
InChIInChI=1S/C10H14N4/c1-8(2)3-5-12-10-13-6-4-9(7-11)14-10/h4,6,8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyUAOXXXRXNZHODR-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-methylbutylamino)pyrimidine-4-carbonitrile

2-(3-methylbutylamino)pyrimidine-4-carbonitrile (PubChem CID 107543385) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(3-methylbutylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methylbutylamino)pyrimidine-4-carbonitrile
PubChem CID107543385
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(3-methylbutylamino)pyrimidine-4-carbonitrile
SMILESCC(C)CCNc1nccc(C#N)n1
InChIInChI=1S/C10H14N4/c1-8(2)3-5-12-10-13-6-4-9(7-11)14-10/h4,6,8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyUAOXXXRXNZHODR-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107544896
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-methylbutylamino)pyrimidine-4-carbonitrile (CID 107543385) is 2-(3-methylbutylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-methylbutylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-methylbutylamino)pyrimidine-4-carbonitrile is CC(C)CCNc1nccc(C#N)n1.
What is the InChIKey of 2-(3-methylbutylamino)pyrimidine-4-carbonitrile?
The InChIKey is UAOXXXRXNZHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(2)3-5-12-10-13-6-4-9(7-11)14-10/h4,6,8H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-methylbutylamino)pyrimidine-4-carbonitrile?
2-(3-methylbutylamino)pyrimidine-4-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).