2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione

C13H13ClFN3O3 — CID 22560382

IUPAC2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(Cl)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C13H13ClFN3O3/c1-5-9(15)8(14)11(21-2)10-7(6-3-4-6)12(19)18(16)13(20)17(5)10/h6H,3-4,16H2,1-2H3
InChIKeyRJKKJWWUJCEZAH-UHFFFAOYSA-N
MW313.72 g/mol
LogP1.16
Rot. Bonds2

About 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione

2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560382) has the molecular formula C13H13ClFN3O3 and a molecular weight of 313.72 g/mol. Its IUPAC name is 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560382
Molecular FormulaC13H13ClFN3O3
Molecular Weight313.72 g/mol
Exact Mass313.06
IUPAC Name2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(Cl)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C13H13ClFN3O3/c1-5-9(15)8(14)11(21-2)10-7(6-3-4-6)12(19)18(16)13(20)17(5)10/h6H,3-4,16H2,1-2H3
InChIKeyRJKKJWWUJCEZAH-UHFFFAOYSA-N
XLogP1.16
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 51.16
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-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560382) is 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is COc1c(Cl)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is RJKKJWWUJCEZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3/c1-5-9(15)8(14)11(21-2)10-7(6-3-4-6)12(19)18(16)13(20)17(5)10/h6H,3-4,16H2,1-2H3.
What are the key properties of 2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 313.72 g/mol, XLogP of 1.16, 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-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).