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

C17H17FN6O2 — CID 10155189

IUPAC2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2cncc(CN)n2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H17FN6O2/c1-8-13(12-6-21-5-10(4-19)22-12)11(18)7-23-15(8)14(9-2-3-9)16(25)24(20)17(23)26/h5-7,9H,2-4,19-20H2,1H3
InChIKeyORXMNBTULFYCJB-UHFFFAOYSA-N
MW356.36 g/mol
LogP0.42
Rot. Bonds3

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

2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10155189) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10155189
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2cncc(CN)n2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H17FN6O2/c1-8-13(12-6-21-5-10(4-19)22-12)11(18)7-23-15(8)14(9-2-3-9)16(25)24(20)17(23)26/h5-7,9H,2-4,19-20H2,1H3
InChIKeyORXMNBTULFYCJB-UHFFFAOYSA-N
XLogP0.42
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Amino-4-cyclopropyl-7-fluoro-5-methyl-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
CID 9923420
2-Amino-4-cyclopropyl-7-fluoro-5-methoxy-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560156
4-Cyclopropyl-7-fluoro-5-methyl-6-pyrazin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560297
6-[6-(Aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560302
6-[6-(Aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560416
2-Amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560422

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 10155189) is 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(-c2cncc(CN)n2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is ORXMNBTULFYCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-8-13(12-6-21-5-10(4-19)22-12)11(18)7-23-15(8)14(9-2-3-9)16(25)24(20)17(23)26/h5-7,9H,2-4,19-20H2,1H3.
What are the key properties of 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 356.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10155189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).