4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide

C20H21FN6O2 — CID 72704716

IUPAC4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CCO1
InChIInChI=1S/C20H21FN6O2/c1-23-20(28)17-10-27(4-5-29-17)9-12-6-13(8-14(21)7-12)15-2-3-16-18(26-15)19(22)25-11-24-16/h2-3,6-8,11,17H,4-5,9-10H2,1H3,(H,23,28)(H2,22,24,25)
InChIKeyWFRAPPIXERAGBK-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.36
Rot. Bonds4

About 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide

4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 72704716) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID72704716
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CCO1
InChIInChI=1S/C20H21FN6O2/c1-23-20(28)17-10-27(4-5-29-17)9-12-6-13(8-14(21)7-12)15-2-3-16-18(26-15)19(22)25-11-24-16/h2-3,6-8,11,17H,4-5,9-10H2,1H3,(H,23,28)(H2,22,24,25)
InChIKeyWFRAPPIXERAGBK-UHFFFAOYSA-N
XLogP1.36
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide (CID 72704716) is 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CCO1.
What is the InChIKey of 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is WFRAPPIXERAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-23-20(28)17-10-27(4-5-29-17)9-12-6-13(8-14(21)7-12)15-2-3-16-18(26-15)19(22)25-11-24-16/h2-3,6-8,11,17H,4-5,9-10H2,1H3,(H,23,28)(H2,22,24,25).
What are the key properties of 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide?
4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 72704716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).