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

C10H14N4O — CID 107545092

IUPAC2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCC(O)CC(C)Nc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-7(5-8(2)15)13-10-12-4-3-9(6-11)14-10/h3-4,7-8,15H,5H2,1-2H3,(H,12,13,14)
InChIKeyRETQXGWATBDWRM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds4

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

2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107545092) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
PubChem CID107545092
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCC(O)CC(C)Nc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-7(5-8(2)15)13-10-12-4-3-9(6-11)14-10/h3-4,7-8,15H,5H2,1-2H3,(H,12,13,14)
InChIKeyRETQXGWATBDWRM-UHFFFAOYSA-N
XLogP0.92
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107543934
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
CID 106185915
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile (CID 107545092) is 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile is CC(O)CC(C)Nc1nccc(C#N)n1.
What is the InChIKey of 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is RETQXGWATBDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(5-8(2)15)13-10-12-4-3-9(6-11)14-10/h3-4,7-8,15H,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile?
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).