4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine

C17H15FN4O — CID 24962765

IUPAC4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESC/C=C/COc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H15FN4O/c1-2-3-10-23-16-15-14(21-17(19)22-16)9-8-13(20-15)11-4-6-12(18)7-5-11/h2-9H,10H2,1H3,(H2,19,21,22)/b3-2+
InChIKeyLCUYSLFJOFGGQE-NSCUHMNNSA-N
MW310.33 g/mol
LogP3.37
Rot. Bonds4

About 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine

4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24962765) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24962765
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESC/C=C/COc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H15FN4O/c1-2-3-10-23-16-15-14(21-17(19)22-16)9-8-13(20-15)11-4-6-12(18)7-5-11/h2-9H,10H2,1H3,(H2,19,21,22)/b3-2+
InChIKeyLCUYSLFJOFGGQE-NSCUHMNNSA-N
XLogP3.37
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 59199210
4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 59199205
4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine;morpholine
CID 69078731
(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol
CID 71081804
4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 24958393
6-(4-fluorophenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 24963520
6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine
CID 24963875
6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 110172114
6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide
CID 69033636
4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine
CID 69076988
6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319740

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (CID 24962765) is 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is C/C=C/COc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is LCUYSLFJOFGGQE-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-2-3-10-23-16-15-14(21-17(19)22-16)9-8-13(20-15)11-4-6-12(18)7-5-11/h2-9H,10H2,1H3,(H2,19,21,22)/b3-2+.
What are the key properties of 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 310.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24962765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).