4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine

C21H17F2N5O — CID 25007510

IUPAC4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccccc3F)nc12
InChIInChI=1S/C21H17F2N5O/c1-2-29-20-18-19(24-12-17(26-18)15-5-3-4-6-16(15)23)27-21(28-20)25-11-13-7-9-14(22)10-8-13/h3-10,12H,2,11H2,1H3,(H,24,25,27,28)
InChIKeyCOZLATNSUJWVPY-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.38
Rot. Bonds6

About 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine

4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine (PubChem CID 25007510) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine
PubChem CID25007510
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccccc3F)nc12
InChIInChI=1S/C21H17F2N5O/c1-2-29-20-18-19(24-12-17(26-18)15-5-3-4-6-16(15)23)27-21(28-20)25-11-13-7-9-14(22)10-8-13/h3-10,12H,2,11H2,1H3,(H,24,25,27,28)
InChIKeyCOZLATNSUJWVPY-UHFFFAOYSA-N
XLogP4.38
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone
CID 25004607
6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
CID 68774069
6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319740
6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69314270
5-(2-fluorophenyl)-2H-triazolo[4,5-b]pyrazine
CID 152521163
6-(3-aminophenyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319400
5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846851
4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine
CID 68776540
4-ethoxy-6-(4-fluorophenyl)pteridine
CID 24794956
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58040288
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
CID 24962201

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine (CID 25007510) is 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine is CCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccccc3F)nc12.
What is the InChIKey of 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine?
The InChIKey is COZLATNSUJWVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-2-29-20-18-19(24-12-17(26-18)15-5-3-4-6-16(15)23)27-21(28-20)25-11-13-7-9-14(22)10-8-13/h3-10,12H,2,11H2,1H3,(H,24,25,27,28).
What are the key properties of 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine?
4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine has a molecular weight of 393.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine is sourced from PubChem (CID 25007510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).