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

C19H26FN5O3 — CID 10293844

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCNC(C)C1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C19H26FN5O3/c1-10(22-2)12-6-7-23(8-12)15-13(20)9-24-16(17(15)28-3)14(11-4-5-11)18(26)25(21)19(24)27/h9-12,22H,4-8,21H2,1-3H3
InChIKeyHQBOYBSXIIJQPO-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.63
Rot. Bonds5

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

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10293844) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10293844
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCNC(C)C1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C19H26FN5O3/c1-10(22-2)12-6-7-23(8-12)15-13(20)9-24-16(17(15)28-3)14(11-4-5-11)18(26)25(21)19(24)27/h9-12,22H,4-8,21H2,1-3H3
InChIKeyHQBOYBSXIIJQPO-UHFFFAOYSA-N
XLogP0.63
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.63
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-[1-(methylamino)ethyl]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-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione (CID 10293844) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]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-[1-(methylamino)ethyl]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-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione is CNC(C)C1CCN(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-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is HQBOYBSXIIJQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-10(22-2)12-6-7-23(8-12)15-13(20)9-24-16(17(15)28-3)14(11-4-5-11)18(26)25(21)19(24)27/h9-12,22H,4-8,21H2,1-3H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-[3-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 391.45 g/mol, XLogP of 0.63, 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-[1-(methylamino)ethyl]pyrrolidin-1-yl]pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10293844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).