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

C15H19FN4 — CID 80987779

IUPAC2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-13-18-14(17)10(2)15(19-13)20(3)9-11-7-5-6-8-12(11)16/h5-8H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyLJTWYQQTNDMURQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.71
Rot. Bonds4

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

2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80987779) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80987779
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-13-18-14(17)10(2)15(19-13)20(3)9-11-7-5-6-8-12(11)16/h5-8H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyLJTWYQQTNDMURQ-UHFFFAOYSA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80993245
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
2-ethyl-4-N,5-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667604
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80987779) is 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(N(C)Cc2ccccc2F)n1.
What is the InChIKey of 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is LJTWYQQTNDMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-13-18-14(17)10(2)15(19-13)20(3)9-11-7-5-6-8-12(11)16/h5-8H,4,9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).