4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine

C15H19FN4O2 — CID 82455571

IUPAC4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
SMILESCOCCOc1nc(C)nc(NCc2ccccc2F)c1N
InChIInChI=1S/C15H19FN4O2/c1-10-19-14(13(17)15(20-10)22-8-7-21-2)18-9-11-5-3-4-6-12(11)16/h3-6H,7-9,17H2,1-2H3,(H,18,19,20)
InChIKeyCEIHWFHFVQTSRZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.14
Rot. Bonds7

About 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine

4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine (PubChem CID 82455571) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
PubChem CID82455571
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
SMILESCOCCOc1nc(C)nc(NCc2ccccc2F)c1N
InChIInChI=1S/C15H19FN4O2/c1-10-19-14(13(17)15(20-10)22-8-7-21-2)18-9-11-5-3-4-6-12(11)16/h3-6H,7-9,17H2,1-2H3,(H,18,19,20)
InChIKeyCEIHWFHFVQTSRZ-UHFFFAOYSA-N
XLogP2.14
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80876952
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
CID 155799084
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146152

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine (CID 82455571) is 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine is COCCOc1nc(C)nc(NCc2ccccc2F)c1N.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The InChIKey is CEIHWFHFVQTSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10-19-14(13(17)15(20-10)22-8-7-21-2)18-9-11-5-3-4-6-12(11)16/h3-6H,7-9,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine has a molecular weight of 306.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).