5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile

C18H15N5O — CID 70963258

IUPAC5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cn1
InChIInChI=1S/C18H15N5O/c19-9-15-7-6-14(10-20-15)16-8-18(23-12-22-16)21-11-17(24)13-4-2-1-3-5-13/h1-8,10,12,17,24H,11H2,(H,21,22,23)
InChIKeyDPWRZARAQIVREH-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.56
Rot. Bonds5

About 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile

5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 70963258) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
PubChem CID70963258
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cn1
InChIInChI=1S/C18H15N5O/c19-9-15-7-6-14(10-20-15)16-8-18(23-12-22-16)21-11-17(24)13-4-2-1-3-5-13/h1-8,10,12,17,24H,11H2,(H,21,22,23)
InChIKeyDPWRZARAQIVREH-UHFFFAOYSA-N
XLogP2.56
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile (CID 70963258) is 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cn1.
What is the InChIKey of 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The InChIKey is DPWRZARAQIVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-9-15-7-6-14(10-20-15)16-8-18(23-12-22-16)21-11-17(24)13-4-2-1-3-5-13/h1-8,10,12,17,24H,11H2,(H,21,22,23).
What are the key properties of 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70963258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).