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

C19H25FN4O5 — CID 22560163

IUPAC2-amino-4-cyclopropyl-6-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(O)CO)C2)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C19H25FN4O5/c1-9-14(20)16(22-6-5-11(7-22)12(26)8-25)17(29-2)15-13(10-3-4-10)18(27)24(21)19(28)23(9)15/h10-12,25-26H,3-8,21H2,1-2H3
InChIKeyDMLOEASFAHEPAF-UHFFFAOYSA-N
MW408.43 g/mol
LogP-0.31
Rot. Bonds5

About 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

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 (PubChem CID 22560163) has the molecular formula C19H25FN4O5 and a molecular weight of 408.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-6-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560163
Molecular FormulaC19H25FN4O5
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC Name2-amino-4-cyclopropyl-6-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(O)CO)C2)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C19H25FN4O5/c1-9-14(20)16(22-6-5-11(7-22)12(26)8-25)17(29-2)15-13(10-3-4-10)18(27)24(21)19(28)23(9)15/h10-12,25-26H,3-8,21H2,1-2H3
InChIKeyDMLOEASFAHEPAF-UHFFFAOYSA-N
XLogP-0.31
TPSA122.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 11372720
6-[3-(1-aminopropyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560425
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
[(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
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-1-cyclopropyl-6-fluoro-7-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 11417586
8-[3-(1,2-dihydroxyethyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
CID 59074190

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(N2CCC(C(O)CO)C2)c(F)c(C)n2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 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?
The InChIKey is DMLOEASFAHEPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5/c1-9-14(20)16(22-6-5-11(7-22)12(26)8-25)17(29-2)15-13(10-3-4-10)18(27)24(21)19(28)23(9)15/h10-12,25-26H,3-8,21H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 408.43 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22560163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).