2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile

C14H14N4O — CID 107552024

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-10-7-12(8-15)17-14(16-10)18-13(9-19)11-5-3-2-4-6-11/h2-7,13,19H,9H2,1H3,(H,16,17,18)
InChIKeyUPGGUBJQDSZFDX-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.80
Rot. Bonds4

About 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552024) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552024
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-10-7-12(8-15)17-14(16-10)18-13(9-19)11-5-3-2-4-6-11/h2-7,13,19H,9H2,1H3,(H,16,17,18)
InChIKeyUPGGUBJQDSZFDX-UHFFFAOYSA-N
XLogP1.80
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 107542928
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491
2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
CID 107544009
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107551984

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107552024) is 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC(CO)c2ccccc2)n1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is UPGGUBJQDSZFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-7-12(8-15)17-14(16-10)18-13(9-19)11-5-3-2-4-6-11/h2-7,13,19H,9H2,1H3,(H,16,17,18).
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).