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

C18H17F2N5O2 — CID 19142786

IUPAC4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1
InChIInChI=1S/C18H17F2N5O2/c1-26-11-4-6-15(27-2)14(8-11)25-18-16(21)17(22-9-23-18)24-13-7-10(19)3-5-12(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyFGRZTOQUEQAJSU-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.84
Rot. Bonds6

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

4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19142786) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19142786
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1
InChIInChI=1S/C18H17F2N5O2/c1-26-11-4-6-15(27-2)14(8-11)25-18-16(21)17(22-9-23-18)24-13-7-10(19)3-5-12(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyFGRZTOQUEQAJSU-UHFFFAOYSA-N
XLogP3.84
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
CID 114071767
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19142786) is 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(OC)c(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is FGRZTOQUEQAJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-26-11-4-6-15(27-2)14(8-11)25-18-16(21)17(22-9-23-18)24-13-7-10(19)3-5-12(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 373.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).