N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

C15H18FN3S — CID 80991094

IUPACN,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2ccccc2F)c1C
InChIInChI=1S/C15H18FN3S/c1-4-13-18-14(17-5-2)10(3)15(19-13)20-12-9-7-6-8-11(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBNLQEMAQVYDFEP-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.07
Rot. Bonds5

About N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (PubChem CID 80991094) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
PubChem CID80991094
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC NameN,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2ccccc2F)c1C
InChIInChI=1S/C15H18FN3S/c1-4-13-18-14(17-5-2)10(3)15(19-13)20-12-9-7-6-8-11(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBNLQEMAQVYDFEP-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81001116
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80977646
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
CID 80873489
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 115502727
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (CID 80991094) is N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(Sc2ccccc2F)c1C.
What is the InChIKey of N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The InChIKey is BNLQEMAQVYDFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-4-13-18-14(17-5-2)10(3)15(19-13)20-12-9-7-6-8-11(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine has a molecular weight of 291.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80991094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).