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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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).