4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine

C18H17F2N5O — CID 19149262

IUPAC4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1
InChIInChI=1S/C18H17F2N5O/c1-2-26-13-6-4-12(5-7-13)24-17-16(21)18(23-10-22-17)25-15-9-11(19)3-8-14(15)20/h3-10H,2,21H2,1H3,(H2,22,23,24,25)
InChIKeyMOMSBVZHQXOPSP-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.22
Rot. Bonds6

About 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine

4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149262) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19149262
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1
InChIInChI=1S/C18H17F2N5O/c1-2-26-13-6-4-12(5-7-13)24-17-16(21)18(23-10-22-17)25-15-9-11(19)3-8-14(15)20/h3-10H,2,21H2,1H3,(H2,22,23,24,25)
InChIKeyMOMSBVZHQXOPSP-UHFFFAOYSA-N
XLogP4.22
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19149262) is 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine is CCOc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is MOMSBVZHQXOPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-2-26-13-6-4-12(5-7-13)24-17-16(21)18(23-10-22-17)25-15-9-11(19)3-8-14(15)20/h3-10H,2,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 357.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).