4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

C15H19FN4S — CID 80808525

IUPAC4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C(C)c2ccccc2F)nc(SC)n1
InChIInChI=1S/C15H19FN4S/c1-10(11-7-5-6-8-12(11)16)20(3)14-9-13(17-2)18-15(19-14)21-4/h5-10H,1-4H3,(H,17,18,19)
InChIKeyIALOHELMDANCDK-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.58
Rot. Bonds5

About 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80808525) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80808525
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C(C)c2ccccc2F)nc(SC)n1
InChIInChI=1S/C15H19FN4S/c1-10(11-7-5-6-8-12(11)16)20(3)14-9-13(17-2)18-15(19-14)21-4/h5-10H,1-4H3,(H,17,18,19)
InChIKeyIALOHELMDANCDK-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80904873
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804572
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318905
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367909
2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 133400592
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80795314
2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
CID 62980554

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80808525) is 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(N(C)C(C)c2ccccc2F)nc(SC)n1.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IALOHELMDANCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-10(11-7-5-6-8-12(11)16)20(3)14-9-13(17-2)18-15(19-14)21-4/h5-10H,1-4H3,(H,17,18,19).
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80808525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).