2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione

C16H19FN4O3 — CID 10131742

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCCC2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C16H19FN4O3/c1-24-14-12(19-6-2-3-7-19)10(17)8-20-13(14)11(9-4-5-9)15(22)21(18)16(20)23/h8-9H,2-7,18H2,1H3
InChIKeyPHVIWSNUBYIUPI-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.80
Rot. Bonds3

About 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10131742) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10131742
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCCC2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C16H19FN4O3/c1-24-14-12(19-6-2-3-7-19)10(17)8-20-13(14)11(9-4-5-9)15(22)21(18)16(20)23/h8-9H,2-7,18H2,1H3
InChIKeyPHVIWSNUBYIUPI-UHFFFAOYSA-N
XLogP0.80
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione (CID 10131742) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCCC2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is PHVIWSNUBYIUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-24-14-12(19-6-2-3-7-19)10(17)8-20-13(14)11(9-4-5-9)15(22)21(18)16(20)23/h8-9H,2-7,18H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 334.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrrolidin-1-ylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).