4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide

C16H14FN5O2 — CID 69033636

IUPAC4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(N)=O)c(F)c3)nc12
InChIInChI=1S/C16H14FN5O2/c1-2-24-15-13-12(21-16(19)22-15)6-5-11(20-13)8-3-4-9(14(18)23)10(17)7-8/h3-7H,2H2,1H3,(H2,18,23)(H2,19,21,22)
InChIKeyJWIIYYDEZACTMT-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.91
Rot. Bonds4

About 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide

4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide (PubChem CID 69033636) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide
PubChem CID69033636
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(N)=O)c(F)c3)nc12
InChIInChI=1S/C16H14FN5O2/c1-2-24-15-13-12(21-16(19)22-15)6-5-11(20-13)8-3-4-9(14(18)23)10(17)7-8/h3-7H,2H2,1H3,(H2,18,23)(H2,19,21,22)
InChIKeyJWIIYYDEZACTMT-UHFFFAOYSA-N
XLogP1.91
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide?
The IUPAC name of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide (CID 69033636) is 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide?
The canonical SMILES for 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide is CCOc1nc(N)nc2ccc(-c3ccc(C(N)=O)c(F)c3)nc12.
What is the InChIKey of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide?
The InChIKey is JWIIYYDEZACTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-2-24-15-13-12(21-16(19)22-15)6-5-11(20-13)8-3-4-9(14(18)23)10(17)7-8/h3-7H,2H2,1H3,(H2,18,23)(H2,19,21,22).
What are the key properties of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide?
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide has a molecular weight of 327.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide is sourced from PubChem (CID 69033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).