2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile

C19H16N4O — CID 18516919

IUPAC2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(CCO)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H16N4O/c20-12-16-13-21-19(23-18(16)15-4-2-1-3-5-15)22-17-8-6-14(7-9-17)10-11-24/h1-9,13,24H,10-11H2,(H,21,22,23)
InChIKeyVUISELUIGVHPLE-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile

2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile (PubChem CID 18516919) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile
PubChem CID18516919
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(CCO)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H16N4O/c20-12-16-13-21-19(23-18(16)15-4-2-1-3-5-15)22-17-8-6-14(7-9-17)10-11-24/h1-9,13,24H,10-11H2,(H,21,22,23)
InChIKeyVUISELUIGVHPLE-UHFFFAOYSA-N
XLogP3.29
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Phenyl-2-(phenylamino)pyrimidine-5-carbonitrile
CID 18516979
2-(p-Toluidino)-4-phenylpyrimidine-5-carbonitrile
CID 44430881
4-(4-(2,6-Difluorobenzyl)pyrimidin-2-ylamino)benzonitrile
CID 52952626
4-(4-(1-(2,6-Difluorophenyl)ethyl)pyrimidin-2-ylamino)benzonitrile
CID 52952628
4-(4-(1-(2,6-Difluorophenyl)ethyl)-5-methylpyrimidin-2-ylamino)benzonitrile
CID 52952629
2-(4-(4-(4-(2-Aminopropan-2-yl)phenyl)-5-chloropyrimidin-2-ylamino)phenyl)ethanol
CID 9908026
Jnj-17029259
CID 11464906
2-(4-(2-Hydroxyethyl)phenylamino)-4-(thiophen-2-yl)pyrimidine-5-carbonitrile
CID 18516895
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
3-[[4-[[2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-2-yl]amino]benzonitrile
CID 44530272
3-[[4-[[2-Hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-2-yl]amino]benzonitrile
CID 44530282
4-[[2-(2-Phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793111

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile (CID 18516919) is 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccc(CCO)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile?
The InChIKey is VUISELUIGVHPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-12-16-13-21-19(23-18(16)15-4-2-1-3-5-15)22-17-8-6-14(7-9-17)10-11-24/h1-9,13,24H,10-11H2,(H,21,22,23).
What are the key properties of 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile?
2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)anilino]-4-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18516919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).