5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one

C14H14ClFN4O2 — CID 155217225

IUPAC5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc(-c3ccnc(F)c3)[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C14H14ClFN4O2/c1-8-7-20(4-5-22-8)13-11(15)14(21)19-12(18-13)9-2-3-17-10(16)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,18,19,21)
InChIKeyLRYQTZZZACDVQN-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.85
Rot. Bonds2

About 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one

5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 155217225) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID155217225
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC Name5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc(-c3ccnc(F)c3)[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C14H14ClFN4O2/c1-8-7-20(4-5-22-8)13-11(15)14(21)19-12(18-13)9-2-3-17-10(16)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,18,19,21)
InChIKeyLRYQTZZZACDVQN-UHFFFAOYSA-N
XLogP1.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 155217225) is 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1CN(c2nc(-c3ccnc(F)c3)[nH]c(=O)c2Cl)CCO1.
What is the InChIKey of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is LRYQTZZZACDVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c1-8-7-20(4-5-22-8)13-11(15)14(21)19-12(18-13)9-2-3-17-10(16)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,18,19,21).
What are the key properties of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 324.74 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 155217225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).