4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine

C18H15FN6S — CID 51699968

IUPAC4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
SMILESFc1ccc(Nc2nc(NCCc3cccs3)nc3nccnc23)cc1
InChIInChI=1S/C18H15FN6S/c19-12-3-5-13(6-4-12)23-17-15-16(21-10-9-20-15)24-18(25-17)22-8-7-14-2-1-11-26-14/h1-6,9-11H,7-8H2,(H2,21,22,23,24,25)
InChIKeyOAESMOQKWVHPLS-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.02
Rot. Bonds6

About 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine

4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine (PubChem CID 51699968) has the molecular formula C18H15FN6S and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
PubChem CID51699968
Molecular FormulaC18H15FN6S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC Name4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
SMILESFc1ccc(Nc2nc(NCCc3cccs3)nc3nccnc23)cc1
InChIInChI=1S/C18H15FN6S/c19-12-3-5-13(6-4-12)23-17-15-16(21-10-9-20-15)24-18(25-17)22-8-7-14-2-1-11-26-14/h1-6,9-11H,7-8H2,(H2,21,22,23,24,25)
InChIKeyOAESMOQKWVHPLS-UHFFFAOYSA-N
XLogP4.02
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis(4-fluorophenyl)-6-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134152918
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910626
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910758
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
CID 16911130
4-N-(4-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16910687
4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 71237297
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910815
4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667993
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine (CID 51699968) is 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine is Fc1ccc(Nc2nc(NCCc3cccs3)nc3nccnc23)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine?
The InChIKey is OAESMOQKWVHPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6S/c19-12-3-5-13(6-4-12)23-17-15-16(21-10-9-20-15)24-18(25-17)22-8-7-14-2-1-11-26-14/h1-6,9-11H,7-8H2,(H2,21,22,23,24,25).
What are the key properties of 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine?
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine has a molecular weight of 366.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine is sourced from PubChem (CID 51699968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).