2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine

C18H21FN6O2 — CID 16910626

IUPAC2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
SMILESCCOC(CNc1nc(Nc2ccc(F)cc2)c2nccnc2n1)OCC
InChIInChI=1S/C18H21FN6O2/c1-3-26-14(27-4-2)11-22-18-24-16-15(20-9-10-21-16)17(25-18)23-13-7-5-12(19)6-8-13/h5-10,14H,3-4,11H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyVIYVZWZMTLZYQN-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.11
Rot. Bonds9

About 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine

2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine (PubChem CID 16910626) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
PubChem CID16910626
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
SMILESCCOC(CNc1nc(Nc2ccc(F)cc2)c2nccnc2n1)OCC
InChIInChI=1S/C18H21FN6O2/c1-3-26-14(27-4-2)11-22-18-24-16-15(20-9-10-21-16)17(25-18)23-13-7-5-12(19)6-8-13/h5-10,14H,3-4,11H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyVIYVZWZMTLZYQN-UHFFFAOYSA-N
XLogP3.11
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
CID 16910636
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820883
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910815

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine (CID 16910626) is 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine is CCOC(CNc1nc(Nc2ccc(F)cc2)c2nccnc2n1)OCC.
What is the InChIKey of 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The InChIKey is VIYVZWZMTLZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-3-26-14(27-4-2)11-22-18-24-16-15(20-9-10-21-16)17(25-18)23-13-7-5-12(19)6-8-13/h5-10,14H,3-4,11H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine has a molecular weight of 372.40 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).