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

C19H25FN4O3 — CID 22560425

IUPAC6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCCC(N)C1CCN(c2c(F)cn3c(=O)[nH]c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C19H25FN4O3/c1-3-13(21)11-6-7-23(8-11)15-12(20)9-24-16(17(15)27-2)14(10-4-5-10)18(25)22-19(24)26/h9-11,13H,3-8,21H2,1-2H3,(H,22,25,26)
InChIKeyOWQFOTUXXPOHRJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.58
Rot. Bonds5

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

6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560425) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560425
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCCC(N)C1CCN(c2c(F)cn3c(=O)[nH]c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C19H25FN4O3/c1-3-13(21)11-6-7-23(8-11)15-12(20)9-24-16(17(15)27-2)14(10-4-5-10)18(25)22-19(24)26/h9-11,13H,3-8,21H2,1-2H3,(H,22,25,26)
InChIKeyOWQFOTUXXPOHRJ-UHFFFAOYSA-N
XLogP1.58
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560216
6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560173
6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560414
6-[4-(1-aminoethyl)thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560445
6-[4-(aminomethyl)-2-pyridinyl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560284
1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
CID 140504612
7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10429791
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
[(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
4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione
CID 22560309
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
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560425) is 6-[3-(1-aminopropyl)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-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is CCC(N)C1CCN(c2c(F)cn3c(=O)[nH]c(=O)c(C4CC4)c3c2OC)C1.
What is the InChIKey of 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is OWQFOTUXXPOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-3-13(21)11-6-7-23(8-11)15-12(20)9-24-16(17(15)27-2)14(10-4-5-10)18(25)22-19(24)26/h9-11,13H,3-8,21H2,1-2H3,(H,22,25,26).
What are the key properties of 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[3-(1-aminopropyl)pyrrolidin-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 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).