6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine

C14H18N4S — CID 80769102

IUPAC6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(Nc2cccc(SC)c2)c1C
InChIInChI=1S/C14H18N4S/c1-9-13(15-3)16-10(2)17-14(9)18-11-6-5-7-12(8-11)19-4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyZWSWMAPQCKOLOO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.60
Rot. Bonds4

About 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine (PubChem CID 80769102) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
PubChem CID80769102
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(Nc2cccc(SC)c2)c1C
InChIInChI=1S/C14H18N4S/c1-9-13(15-3)16-10(2)17-14(9)18-11-6-5-7-12(8-11)19-4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyZWSWMAPQCKOLOO-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
2-tert-butyl-6-chloro-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974151
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981560
4-N-(4-bromo-3-chlorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 107617897
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
4-N-[4-(dimethylamino)phenyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80789763
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 115379613

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine (CID 80769102) is 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine is CNc1nc(C)nc(Nc2cccc(SC)c2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZWSWMAPQCKOLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-13(15-3)16-10(2)17-14(9)18-11-6-5-7-12(8-11)19-4/h5-8H,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine has a molecular weight of 274.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80769102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).