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

C19H25FN4O3 — CID 22560414

IUPAC6-[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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C19H25FN4O3/c1-9(21)12-6-7-23(8-12)16-14(20)10(2)24-15(17(16)27-3)13(11-4-5-11)18(25)22-19(24)26/h9,11-12H,4-8,21H2,1-3H3,(H,22,25,26)
InChIKeyKFRDCGNFSDKJMX-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.49
Rot. Bonds4

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

6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560414) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 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 Name6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560414
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name6-[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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C19H25FN4O3/c1-9(21)12-6-7-23(8-12)16-14(20)10(2)24-15(17(16)27-3)13(11-4-5-11)18(25)22-19(24)26/h9,11-12H,4-8,21H2,1-3H3,(H,22,25,26)
InChIKeyKFRDCGNFSDKJMX-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 52943467
2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-pyrido[1,2-c]pyrimidine-1,3-dione
CID 46897990
2-Amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
CID 10293844
2-Amino-6-[3-(1-aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560140
6-[3-(1-Aminoethyl)-4-methylpyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560150
2-Amino-6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560155
2-Amino-6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560164
6-[3-(1-Amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560165
6-[3-(1-Aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560170
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-Amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 22560174
6-[3-(1-Aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560176

Frequently Asked Questions

What is the IUPAC name of 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 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560414) is 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 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 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)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 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 KFRDCGNFSDKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-9(21)12-6-7-23(8-12)16-14(20)10(2)24-15(17(16)27-3)13(11-4-5-11)18(25)22-19(24)26/h9,11-12H,4-8,21H2,1-3H3,(H,22,25,26).
What are the key properties of 6-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
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 376.43 g/mol, XLogP of 1.49, 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-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).