2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C18H19FN4O — CID 24748660

IUPAC2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cc(-c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cnc1F
InChIInChI=1S/C18H19FN4O/c1-11-7-13(10-21-16(11)19)12-5-4-6-14(8-12)18(2)9-15(24)23(3)17(20)22-18/h4-8,10H,9H2,1-3H3,(H2,20,22)
InChIKeyDVFKSTSKUTYCAW-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.59
Rot. Bonds2

About 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 24748660) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID24748660
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cc(-c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cnc1F
InChIInChI=1S/C18H19FN4O/c1-11-7-13(10-21-16(11)19)12-5-4-6-14(8-12)18(2)9-15(24)23(3)17(20)22-18/h4-8,10H,9H2,1-3H3,(H2,20,22)
InChIKeyDVFKSTSKUTYCAW-UHFFFAOYSA-N
XLogP2.59
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 24748660) is 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is Cc1cc(-c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cnc1F.
What is the InChIKey of 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is DVFKSTSKUTYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-7-13(10-21-16(11)19)12-5-4-6-14(8-12)18(2)9-15(24)23(3)17(20)22-18/h4-8,10H,9H2,1-3H3,(H2,20,22).
What are the key properties of 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 326.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 24748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).