4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

C18H16F2N4O — CID 112860311

IUPAC4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C18H16F2N4O/c1-25-14-5-2-12(3-6-14)10-21-17-9-18(23-11-22-17)24-16-7-4-13(19)8-15(16)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeyXJUTXCMXFXIXEP-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112860311) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112860311
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C18H16F2N4O/c1-25-14-5-2-12(3-6-14)10-21-17-9-18(23-11-22-17)24-16-7-4-13(19)8-15(16)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeyXJUTXCMXFXIXEP-UHFFFAOYSA-N
XLogP4.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-methoxyphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112860328
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859762
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
4-N-(2,4-difluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875018
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (CID 112860311) is 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3ccc(F)cc3F)ncn2)cc1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is XJUTXCMXFXIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-25-14-5-2-12(3-6-14)10-21-17-9-18(23-11-22-17)24-16-7-4-13(19)8-15(16)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 342.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112860311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).