2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione

C19H26FN5O3 — CID 22560206

IUPAC2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(C)N)C2)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C19H26FN5O3/c1-9(21)12-6-7-23(8-12)16-14(20)10(2)24-15(17(16)28-3)13(11-4-5-11)18(26)25(22)19(24)27/h9,11-12H,4-8,21-22H2,1-3H3
InChIKeyRCXZRRHWIZXFPL-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.68
Rot. Bonds4

About 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione

2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560206) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560206
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Name2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(C)N)C2)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C19H26FN5O3/c1-9(21)12-6-7-23(8-12)16-14(20)10(2)24-15(17(16)28-3)13(11-4-5-11)18(26)25(22)19(24)27/h9,11-12H,4-8,21-22H2,1-3H3
InChIKeyRCXZRRHWIZXFPL-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4-cyclopropyl-6-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560163
6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560414
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10224127
6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560425
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one
CID 130274967
3-amino-7-[(3S)-3-[(1R)-1-amino-2-phenoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 91486300
2-amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
CID 10270468
2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560208
3-amino-7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione;hydrochloride
CID 21041098
7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione
CID 59074304
[(2S)-2-amino-2-[(3R)-1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]urea
CID 69073896

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560206) is 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(C(C)N)C2)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is RCXZRRHWIZXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-9(21)12-6-7-23(8-12)16-14(20)10(2)24-15(17(16)28-3)13(11-4-5-11)18(26)25(22)19(24)27/h9,11-12H,4-8,21-22H2,1-3H3.
What are the key properties of 2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 391.45 g/mol, XLogP of 0.68, 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)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).