6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C16H16FN5O — CID 69081048

IUPAC6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H16FN5O/c1-23-9-8-19-15-14-13(21-16(18)22-15)7-6-12(20-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3,(H3,18,19,21,22)
InChIKeyGIHFKSYHDPQSSF-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.47
Rot. Bonds5

About 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 69081048) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID69081048
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H16FN5O/c1-23-9-8-19-15-14-13(21-16(18)22-15)7-6-12(20-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3,(H3,18,19,21,22)
InChIKeyGIHFKSYHDPQSSF-UHFFFAOYSA-N
XLogP2.47
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 69081048) is 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is GIHFKSYHDPQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-23-9-8-19-15-14-13(21-16(18)22-15)7-6-12(20-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3,(H3,18,19,21,22).
What are the key properties of 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 313.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 69081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).