6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C17H16FN5O3 — CID 22560416

IUPAC6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cncc(CN)n2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C17H16FN5O3/c1-26-15-13(11-6-20-5-9(4-19)21-11)10(18)7-23-14(15)12(8-2-3-8)16(24)22-17(23)25/h5-8H,2-4,19H2,1H3,(H,22,24,25)
InChIKeyHIBCOCRXAVEGLD-UHFFFAOYSA-N
MW357.35 g/mol
LogP0.93
Rot. Bonds4

About 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560416) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560416
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cncc(CN)n2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C17H16FN5O3/c1-26-15-13(11-6-20-5-9(4-19)21-11)10(18)7-23-14(15)12(8-2-3-8)16(24)22-17(23)25/h5-8H,2-4,19H2,1H3,(H,22,24,25)
InChIKeyHIBCOCRXAVEGLD-UHFFFAOYSA-N
XLogP0.93
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560416) is 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2cncc(CN)n2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is HIBCOCRXAVEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-26-15-13(11-6-20-5-9(4-19)21-11)10(18)7-23-14(15)12(8-2-3-8)16(24)22-17(23)25/h5-8H,2-4,19H2,1H3,(H,22,24,25).
What are the key properties of 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 357.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).