1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

C14H17N3S — CID 64647669

IUPAC1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCc1ccc(C(N)CSc2ncccn2)cc1C
InChIInChI=1S/C14H17N3S/c1-10-4-5-12(8-11(10)2)13(15)9-18-14-16-6-3-7-17-14/h3-8,13H,9,15H2,1-2H3
InChIKeyOKGASJXUNAZGSZ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.89
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 64647669) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID64647669
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCc1ccc(C(N)CSc2ncccn2)cc1C
InChIInChI=1S/C14H17N3S/c1-10-4-5-12(8-11(10)2)13(15)9-18-14-16-6-3-7-17-14/h3-8,13H,9,15H2,1-2H3
InChIKeyOKGASJXUNAZGSZ-UHFFFAOYSA-N
XLogP2.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-2-pyrimidin-2-ylsulfanylethanamine
CID 64650599
1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650593
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554
2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylethanamine
CID 55241697
1-(3,4-dimethylphenyl)-2-pentylsulfanylethanamine
CID 107763036
(2R,3R,4R,5R)-2,5-diamino-1,6-bis(pyrimidin-2-ylsulfanyl)hexane-3,4-diol
CID 139806001
3-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine;hydrochloride
CID 86262547
ethyl 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]sulfanylacetate
CID 64613760
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
3-[2-amino-2-(3,4-dimethylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64632342
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 64647669) is 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is Cc1ccc(C(N)CSc2ncccn2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is OKGASJXUNAZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-4-5-12(8-11(10)2)13(15)9-18-14-16-6-3-7-17-14/h3-8,13H,9,15H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine has a molecular weight of 259.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 64647669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).