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

C16H14FN5O3 — CID 22560156

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cnccn2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C16H14FN5O3/c1-25-14-12(10-6-19-4-5-20-10)9(17)7-21-13(14)11(8-2-3-8)15(23)22(18)16(21)24/h4-8H,2-3,18H2,1H3
InChIKeyAPOMDGJVSMBHCS-UHFFFAOYSA-N
MW343.32 g/mol
LogP0.66
Rot. Bonds3

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

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560156) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560156
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cnccn2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C16H14FN5O3/c1-25-14-12(10-6-19-4-5-20-10)9(17)7-21-13(14)11(8-2-3-8)15(23)22(18)16(21)24/h4-8H,2-3,18H2,1H3
InChIKeyAPOMDGJVSMBHCS-UHFFFAOYSA-N
XLogP0.66
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560156) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2cnccn2)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-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is APOMDGJVSMBHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-25-14-12(10-6-19-4-5-20-10)9(17)7-21-13(14)11(8-2-3-8)15(23)22(18)16(21)24/h4-8H,2-3,18H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 343.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).