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

C19H26FN5O3 — CID 22560140

IUPAC2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC(C)C(C(C)N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C19H26FN5O3/c1-9-6-23(7-12(9)10(2)21)15-13(20)8-24-16(17(15)28-3)14(11-4-5-11)18(26)25(22)19(24)27/h8-12H,4-7,21-22H2,1-3H3
InChIKeyQGXHXJVKOODPDI-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.62
Rot. Bonds4

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

2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560140) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560140
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Name2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC(C)C(C(C)N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C19H26FN5O3/c1-9-6-23(7-12(9)10(2)21)15-13(20)8-24-16(17(15)28-3)14(11-4-5-11)18(26)25(22)19(24)27/h8-12H,4-7,21-22H2,1-3H3
InChIKeyQGXHXJVKOODPDI-UHFFFAOYSA-N
XLogP0.62
TPSA107.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.62
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-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560140) is 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-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-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CC(C)C(C(C)N)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is QGXHXJVKOODPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-9-6-23(7-12(9)10(2)21)15-13(20)8-24-16(17(15)28-3)14(11-4-5-11)18(26)25(22)19(24)27/h8-12H,4-7,21-22H2,1-3H3.
What are the key properties of 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 391.45 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).