4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile

C16H16ClN5O — CID 135487496

IUPAC4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(Cl)ccc2O)nc1C1CCCNC1
InChIInChI=1S/C16H16ClN5O/c17-10-3-4-13(23)11(6-10)16-21-14(9-2-1-5-20-8-9)12(7-18)15(19)22-16/h3-4,6,9,20,23H,1-2,5,8H2,(H2,19,21,22)
InChIKeyGNSZAYWAIPNJEY-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile

4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile (PubChem CID 135487496) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
PubChem CID135487496
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(Cl)ccc2O)nc1C1CCCNC1
InChIInChI=1S/C16H16ClN5O/c17-10-3-4-13(23)11(6-10)16-21-14(9-2-1-5-20-8-9)12(7-18)15(19)22-16/h3-4,6,9,20,23H,1-2,5,8H2,(H2,19,21,22)
InChIKeyGNSZAYWAIPNJEY-UHFFFAOYSA-N
XLogP2.42
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile (CID 135487496) is 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile is N#Cc1c(N)nc(-c2cc(Cl)ccc2O)nc1C1CCCNC1.
What is the InChIKey of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile?
The InChIKey is GNSZAYWAIPNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c17-10-3-4-13(23)11(6-10)16-21-14(9-2-1-5-20-8-9)12(7-18)15(19)22-16/h3-4,6,9,20,23H,1-2,5,8H2,(H2,19,21,22).
What are the key properties of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile?
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile has a molecular weight of 329.79 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 135487496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).