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

C18H24FN5O3 — CID 22560220

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCNCC1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C18H24FN5O3/c1-21-7-10-5-6-22(8-10)14-12(19)9-23-15(16(14)27-2)13(11-3-4-11)17(25)24(20)18(23)26/h9-11,21H,3-8,20H2,1-2H3
InChIKeyXRCGLHUMDWOUSG-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.25
Rot. Bonds5

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

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560220) has the molecular formula C18H24FN5O3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560220
Molecular FormulaC18H24FN5O3
Molecular Weight377.42 g/mol
Exact Mass377.19
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCNCC1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C18H24FN5O3/c1-21-7-10-5-6-22(8-10)14-12(19)9-23-15(16(14)27-2)13(11-3-4-11)17(25)24(20)18(23)26/h9-11,21H,3-8,20H2,1-2H3
InChIKeyXRCGLHUMDWOUSG-UHFFFAOYSA-N
XLogP0.25
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione (CID 22560220) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione is CNCC1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1.
What is the InChIKey of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is XRCGLHUMDWOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O3/c1-21-7-10-5-6-22(8-10)14-12(19)9-23-15(16(14)27-2)13(11-3-4-11)17(25)24(20)18(23)26/h9-11,21H,3-8,20H2,1-2H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 377.42 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).