2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C21H21FN4O — CID 137274924

IUPAC2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC3(c4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C21H21FN4O/c1-13-14(2)25-19(26-20(13)27)15-3-8-18(23-11-15)24-12-21(9-10-21)16-4-6-17(22)7-5-16/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H,25,26,27)
InChIKeyLKGPPEWZKOVBEU-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.73
Rot. Bonds5

About 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137274924) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137274924
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC3(c4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C21H21FN4O/c1-13-14(2)25-19(26-20(13)27)15-3-8-18(23-11-15)24-12-21(9-10-21)16-4-6-17(22)7-5-16/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H,25,26,27)
InChIKeyLKGPPEWZKOVBEU-UHFFFAOYSA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137274924) is 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCC3(c4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LKGPPEWZKOVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-13-14(2)25-19(26-20(13)27)15-3-8-18(23-11-15)24-12-21(9-10-21)16-4-6-17(22)7-5-16/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H,25,26,27).
What are the key properties of 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 364.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137274924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).