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

C19H25FN4O3 — CID 22560150

IUPAC6-[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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C19H25FN4O3/c1-9-6-23(7-12(9)10(2)21)15-13(20)8-24-16(17(15)27-3)14(11-4-5-11)18(25)22-19(24)26/h8-12H,4-7,21H2,1-3H3,(H,22,25,26)
InChIKeyZYAOTVUGAIQCCF-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.43
Rot. Bonds4

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

6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560150) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560150
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name6-[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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C19H25FN4O3/c1-9-6-23(7-12(9)10(2)21)15-13(20)8-24-16(17(15)27-3)14(11-4-5-11)18(25)22-19(24)26/h8-12H,4-7,21H2,1-3H3,(H,22,25,26)
InChIKeyZYAOTVUGAIQCCF-UHFFFAOYSA-N
XLogP1.43
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560150) is 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 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 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)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is ZYAOTVUGAIQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-9-6-23(7-12(9)10(2)21)15-13(20)8-24-16(17(15)27-3)14(11-4-5-11)18(25)22-19(24)26/h8-12H,4-7,21H2,1-3H3,(H,22,25,26).
What are the key properties of 6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
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 376.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 22560150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).