2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C18H23FN4O3 — CID 52943467

IUPAC2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCC[C@@H]1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C18H23FN4O3/c1-3-10-6-7-21(8-10)14-12(19)9-22-15(16(14)26-2)13(11-4-5-11)17(24)23(20)18(22)25/h9-11H,3-8,20H2,1-2H3/t10-/m1/s1
InChIKeyHMLLJNBOXSQGNB-SNVBAGLBSA-N
MW362.41 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 52943467) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID52943467
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCC[C@@H]1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1
InChIInChI=1S/C18H23FN4O3/c1-3-10-6-7-21(8-10)14-12(19)9-22-15(16(14)26-2)13(11-4-5-11)17(24)23(20)18(22)25/h9-11H,3-8,20H2,1-2H3/t10-/m1/s1
InChIKeyHMLLJNBOXSQGNB-SNVBAGLBSA-N
XLogP1.44
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 52943467) is 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is CC[C@@H]1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1.
What is the InChIKey of 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is HMLLJNBOXSQGNB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-3-10-6-7-21(8-10)14-12(19)9-22-15(16(14)26-2)13(11-4-5-11)17(24)23(20)18(22)25/h9-11H,3-8,20H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 362.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-6-[(3R)-3-ethylpyrrolidin-1-yl]-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 52943467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).