3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide

C18H19FN6O — CID 86703902

IUPAC3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide
SMILESCN(C)CCNC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C18H19FN6O/c1-25(2)6-5-21-18(26)12-7-11(8-13(19)9-12)14-3-4-15-16(24-14)17(20)23-10-22-15/h3-4,7-10H,5-6H2,1-2H3,(H,21,26)(H2,20,22,23)
InChIKeyDHSNOXWHQKNDAJ-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.70
Rot. Bonds5

About 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide

3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide (PubChem CID 86703902) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide
PubChem CID86703902
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide
SMILESCN(C)CCNC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C18H19FN6O/c1-25(2)6-5-21-18(26)12-7-11(8-13(19)9-12)14-3-4-15-16(24-14)17(20)23-10-22-15/h3-4,7-10H,5-6H2,1-2H3,(H,21,26)(H2,20,22,23)
InChIKeyDHSNOXWHQKNDAJ-UHFFFAOYSA-N
XLogP1.70
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide?
The IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide (CID 86703902) is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide?
The canonical SMILES for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide is CN(C)CCNC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide?
The InChIKey is DHSNOXWHQKNDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-25(2)6-5-21-18(26)12-7-11(8-13(19)9-12)14-3-4-15-16(24-14)17(20)23-10-22-15/h3-4,7-10H,5-6H2,1-2H3,(H,21,26)(H2,20,22,23).
What are the key properties of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide?
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide has a molecular weight of 354.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 86703902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).