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

C23H26FN5O2 — CID 10224127

IUPAC2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(N2CCC(C(N)c3ccccc3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C23H26FN5O2/c1-13-20(27-10-9-16(11-27)19(25)15-5-3-2-4-6-15)17(24)12-28-21(13)18(14-7-8-14)22(30)29(26)23(28)31/h2-6,12,14,16,19H,7-11,25-26H2,1H3
InChIKeyJOVQWEZCIZIGRC-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.03
Rot. Bonds4

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

2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10224127) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10224127
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(N2CCC(C(N)c3ccccc3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C23H26FN5O2/c1-13-20(27-10-9-16(11-27)19(25)15-5-3-2-4-6-15)17(24)12-28-21(13)18(14-7-8-14)22(30)29(26)23(28)31/h2-6,12,14,16,19H,7-11,25-26H2,1H3
InChIKeyJOVQWEZCIZIGRC-UHFFFAOYSA-N
XLogP2.03
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10137165
2-amino-6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10180702
2-amino-4-cyclopropyl-7-fluoro-6-[3-imino-4-(methoxyamino)pyrrolidin-1-yl]-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 91236871
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
3-amino-7-[3-[(1R)-1-amino-2-phenoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 69075195
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
2-amino-6-[6-(aminomethyl)pyrazin-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 10155189
2-amino-6-chloro-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
CID 22560208
2-amino-4-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimido[1,6-c]pyrimidine-1,3-dione
CID 20763720
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56626154
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
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride
CID 512785

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 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) is 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(N2CCC(C(N)c3ccccc3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is JOVQWEZCIZIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-13-20(27-10-9-16(11-27)19(25)15-5-3-2-4-6-15)17(24)12-28-21(13)18(14-7-8-14)22(30)29(26)23(28)31/h2-6,12,14,16,19H,7-11,25-26H2,1H3.
What are the key properties of 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 423.49 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-[amino(phenyl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10224127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).