2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile

C11H16N4O — CID 106185915

IUPAC2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCC(C)(O)C(C)(C)Nc1nccc(C#N)n1
InChIInChI=1S/C11H16N4O/c1-10(2,11(3,4)16)15-9-13-6-5-8(7-12)14-9/h5-6,16H,1-4H3,(H,13,14,15)
InChIKeyULQWYNSIBRNRCG-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.31
Rot. Bonds3

About 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 106185915) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID106185915
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCC(C)(O)C(C)(C)Nc1nccc(C#N)n1
InChIInChI=1S/C11H16N4O/c1-10(2,11(3,4)16)15-9-13-6-5-8(7-12)14-9/h5-6,16H,1-4H3,(H,13,14,15)
InChIKeyULQWYNSIBRNRCG-UHFFFAOYSA-N
XLogP1.31
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107545203
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyrimidine-4-carbonitrile
CID 106254224
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
CID 107543189
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile (CID 106185915) is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile is CC(C)(O)C(C)(C)Nc1nccc(C#N)n1.
What is the InChIKey of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is ULQWYNSIBRNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-10(2,11(3,4)16)15-9-13-6-5-8(7-12)14-9/h5-6,16H,1-4H3,(H,13,14,15).
What are the key properties of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile?
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 106185915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).