2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine

C15H19FN4 — CID 80982081

IUPAC2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-4-13-19-14(17-3)10(2)15(20-13)18-9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYJHQXBXSHCGQGZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.14
Rot. Bonds5

About 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80982081) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80982081
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-4-13-19-14(17-3)10(2)15(20-13)18-9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYJHQXBXSHCGQGZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957898
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80992974
2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80987116
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982049
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80982081) is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is YJHQXBXSHCGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-13-19-14(17-3)10(2)15(20-13)18-9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).