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

C18H23FN4O3 — CID 22560176

IUPAC6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(C)N)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H23FN4O3/c1-9(20)11-5-6-22(7-11)14-12(19)8-23-15(16(14)26-2)13(10-3-4-10)17(24)21-18(23)25/h8-11H,3-7,20H2,1-2H3,(H,21,24,25)
InChIKeyXBTYFANOKLUELP-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.19
Rot. Bonds4

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

6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560176) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560176
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(C)N)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H23FN4O3/c1-9(20)11-5-6-22(7-11)14-12(19)8-23-15(16(14)26-2)13(10-3-4-10)17(24)21-18(23)25/h8-11H,3-7,20H2,1-2H3,(H,21,24,25)
InChIKeyXBTYFANOKLUELP-UHFFFAOYSA-N
XLogP1.19
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.19
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)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560176) is 6-[3-(1-aminoethyl)pyrrolidin-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)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(C(C)N)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is XBTYFANOKLUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-9(20)11-5-6-22(7-11)14-12(19)8-23-15(16(14)26-2)13(10-3-4-10)17(24)21-18(23)25/h8-11H,3-7,20H2,1-2H3,(H,21,24,25).
What are the key properties of 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 362.41 g/mol, XLogP of 1.19, 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)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).