N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine

C16H21N3S — CID 80991208

IUPACN,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2ccc(C)cc2)c1C
InChIInChI=1S/C16H21N3S/c1-5-14-18-15(17-6-2)12(4)16(19-14)20-13-9-7-11(3)8-10-13/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyFVZNZOJVUOSPSD-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.24
Rot. Bonds5

About N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine

N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80991208) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80991208
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2ccc(C)cc2)c1C
InChIInChI=1S/C16H21N3S/c1-5-14-18-15(17-6-2)12(4)16(19-14)20-13-9-7-11(3)8-10-13/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyFVZNZOJVUOSPSD-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80990085
6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80890159
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine (CID 80991208) is N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine is CCNc1nc(CC)nc(Sc2ccc(C)cc2)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is FVZNZOJVUOSPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-14-18-15(17-6-2)12(4)16(19-14)20-13-9-7-11(3)8-10-13/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80991208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).