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

C17H15FN4O3 — CID 22560169

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2ccncc2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H15FN4O3/c1-25-15-12(10-4-6-20-7-5-10)11(18)8-21-14(15)13(9-2-3-9)16(23)22(19)17(21)24/h4-9H,2-3,19H2,1H3
InChIKeyMHIWOWQZFAEENC-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.26
Rot. Bonds3

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

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560169) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560169
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2ccncc2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H15FN4O3/c1-25-15-12(10-4-6-20-7-5-10)11(18)8-21-14(15)13(9-2-3-9)16(23)22(19)17(21)24/h4-9H,2-3,19H2,1H3
InChIKeyMHIWOWQZFAEENC-UHFFFAOYSA-N
XLogP1.26
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.26
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-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560169) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2ccncc2)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-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is MHIWOWQZFAEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-25-15-12(10-4-6-20-7-5-10)11(18)8-21-14(15)13(9-2-3-9)16(23)22(19)17(21)24/h4-9H,2-3,19H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 342.33 g/mol, XLogP of 1.26, 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-pyridin-4-ylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).