2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C12H11Cl2N3O2 — CID 79786330

IUPAC2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ncc(Cl)cc2Cl)[nH]c1=O
InChIInChI=1S/C12H11Cl2N3O2/c1-2-3-7-11(18)16-10(17-12(7)19)9-8(14)4-6(13)5-15-9/h4-5H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyDAYGSPJYBMEJGW-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.80
Rot. Bonds3

About 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 79786330) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID79786330
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ncc(Cl)cc2Cl)[nH]c1=O
InChIInChI=1S/C12H11Cl2N3O2/c1-2-3-7-11(18)16-10(17-12(7)19)9-8(14)4-6(13)5-15-9/h4-5H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyDAYGSPJYBMEJGW-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 79786330) is 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2ncc(Cl)cc2Cl)[nH]c1=O.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is DAYGSPJYBMEJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-2-3-7-11(18)16-10(17-12(7)19)9-8(14)4-6(13)5-15-9/h4-5H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 300.14 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79786330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).