2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C12H11ClFN3O3 — CID 22560208

IUPAC2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(Cl)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C12H11ClFN3O3/c1-20-10-8(13)6(14)4-16-9(10)7(5-2-3-5)11(18)17(15)12(16)19/h4-5H,2-3,15H2,1H3
InChIKeyLUOWJCTXYAMVEM-UHFFFAOYSA-N
MW299.69 g/mol
LogP0.85
Rot. Bonds2

About 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560208) has the molecular formula C12H11ClFN3O3 and a molecular weight of 299.69 g/mol. Its IUPAC name is 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560208
Molecular FormulaC12H11ClFN3O3
Molecular Weight299.69 g/mol
Exact Mass299.05
IUPAC Name2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(Cl)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C12H11ClFN3O3/c1-20-10-8(13)6(14)4-16-9(10)7(5-2-3-5)11(18)17(15)12(16)19/h4-5H,2-3,15H2,1H3
InChIKeyLUOWJCTXYAMVEM-UHFFFAOYSA-N
XLogP0.85
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560208) is 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(Cl)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is LUOWJCTXYAMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3/c1-20-10-8(13)6(14)4-16-9(10)7(5-2-3-5)11(18)17(15)12(16)19/h4-5H,2-3,15H2,1H3.
What are the key properties of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 299.69 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).