4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine

C14H17FN4O — CID 82455350

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
SMILESCOc1nc(C)nc(NCCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H17FN4O/c1-9-18-13(12(16)14(19-9)20-2)17-8-7-10-3-5-11(15)6-4-10/h3-6H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyXMHVXBCJYBOCDF-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.17
Rot. Bonds5

About 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine

4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine (PubChem CID 82455350) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
PubChem CID82455350
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
SMILESCOc1nc(C)nc(NCCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H17FN4O/c1-9-18-13(12(16)14(19-9)20-2)17-8-7-10-3-5-11(15)6-4-10/h3-6H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyXMHVXBCJYBOCDF-UHFFFAOYSA-N
XLogP2.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455616
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
CID 82455314
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine (CID 82455350) is 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine is COc1nc(C)nc(NCCc2ccc(F)cc2)c1N.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
The InChIKey is XMHVXBCJYBOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-18-13(12(16)14(19-9)20-2)17-8-7-10-3-5-11(15)6-4-10/h3-6H,7-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).