2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone

C21H23FN6O2 — CID 72704545

IUPAC2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C21H23FN6O2/c1-27(12-19(29)28-4-6-30-7-5-28)11-14-8-15(10-16(22)9-14)17-2-3-18-20(26-17)21(23)25-13-24-18/h2-3,8-10,13H,4-7,11-12H2,1H3,(H2,23,24,25)
InChIKeyNRLQSPINTIPYDZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.70
Rot. Bonds5

About 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone

2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 72704545) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID72704545
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C21H23FN6O2/c1-27(12-19(29)28-4-6-30-7-5-28)11-14-8-15(10-16(22)9-14)17-2-3-18-20(26-17)21(23)25-13-24-18/h2-3,8-10,13H,4-7,11-12H2,1H3,(H2,23,24,25)
InChIKeyNRLQSPINTIPYDZ-UHFFFAOYSA-N
XLogP1.70
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone (CID 72704545) is 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is NRLQSPINTIPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-27(12-19(29)28-4-6-30-7-5-28)11-14-8-15(10-16(22)9-14)17-2-3-18-20(26-17)21(23)25-13-24-18/h2-3,8-10,13H,4-7,11-12H2,1H3,(H2,23,24,25).
What are the key properties of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone?
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 410.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 72704545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).