5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one

C14H9ClN4O2 — CID 79431639

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncn2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN4O2/c15-9-3-1-2-8(6-9)11-13(20)18-12(19-14(11)21)10-4-5-16-7-17-10/h1-7H,(H2,18,19,20,21)
InChIKeyHPNLIGICXKLEHJ-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.25
Rot. Bonds2

About 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one

5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one (PubChem CID 79431639) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one
PubChem CID79431639
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncn2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN4O2/c15-9-3-1-2-8(6-9)11-13(20)18-12(19-14(11)21)10-4-5-16-7-17-10/h1-7H,(H2,18,19,20,21)
InChIKeyHPNLIGICXKLEHJ-UHFFFAOYSA-N
XLogP2.25
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one (CID 79431639) is 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncn2)nc(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one?
The InChIKey is HPNLIGICXKLEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-9-3-1-2-8(6-9)11-13(20)18-12(19-14(11)21)10-4-5-16-7-17-10/h1-7H,(H2,18,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one has a molecular weight of 300.71 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79431639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).