4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

C14H16F2N4O — CID 112911689

IUPAC4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4O/c1-9-7-13(20-14(18-9)17-5-6-21-2)19-10-3-4-11(15)12(16)8-10/h3-4,7-8H,5-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyGEFZJIBDOODKPL-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.87
Rot. Bonds6

About 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112911689) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112911689
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4O/c1-9-7-13(20-14(18-9)17-5-6-21-2)19-10-3-4-11(15)12(16)8-10/h3-4,7-8H,5-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyGEFZJIBDOODKPL-UHFFFAOYSA-N
XLogP2.87
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911503
4-N-(3,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916608
2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112911654
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
4-N-(4-bromo-3-fluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80842688
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
4-N-(4-bromo-3-methylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112912026
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930545
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (CID 112911689) is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is COCCNc1nc(C)cc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is GEFZJIBDOODKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9-7-13(20-14(18-9)17-5-6-21-2)19-10-3-4-11(15)12(16)8-10/h3-4,7-8H,5-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 294.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).