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

C16H20FN5O3 — CID 22560155

IUPAC2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C16H20FN5O3/c1-25-14-12(20-5-4-9(18)6-20)10(17)7-21-13(14)11(8-2-3-8)15(23)22(19)16(21)24/h7-9H,2-6,18-19H2,1H3
InChIKeyLAIZOVPRLNOLSS-UHFFFAOYSA-N
MW349.37 g/mol
LogP-0.26
Rot. Bonds3

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

2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560155) has the molecular formula C16H20FN5O3 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560155
Molecular FormulaC16H20FN5O3
Molecular Weight349.37 g/mol
Exact Mass349.16
IUPAC Name2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C16H20FN5O3/c1-25-14-12(20-5-4-9(18)6-20)10(17)7-21-13(14)11(8-2-3-8)15(23)22(19)16(21)24/h7-9H,2-6,18-19H2,1H3
InChIKeyLAIZOVPRLNOLSS-UHFFFAOYSA-N
XLogP-0.26
TPSA107.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560155) is 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is LAIZOVPRLNOLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3/c1-25-14-12(20-5-4-9(18)6-20)10(17)7-21-13(14)11(8-2-3-8)15(23)22(19)16(21)24/h7-9H,2-6,18-19H2,1H3.
What are the key properties of 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 349.37 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).