N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine

C14H17N3S — CID 80889914

IUPACN,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(SCc2ccccc2C)c1C
InChIInChI=1S/C14H17N3S/c1-10-6-4-5-7-12(10)8-18-14-11(2)13(15-3)16-9-17-14/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeyBJAYKOSNYAWKJF-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.43
Rot. Bonds4

About N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine

N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 80889914) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID80889914
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(SCc2ccccc2C)c1C
InChIInChI=1S/C14H17N3S/c1-10-6-4-5-7-12(10)8-18-14-11(2)13(15-3)16-9-17-14/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeyBJAYKOSNYAWKJF-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761495
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 114072011
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine
CID 62469468
4-[(2-methylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 7674181
[3-chloro-2-[(2-methylphenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 107061189
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334872
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine (CID 80889914) is N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine is CNc1ncnc(SCc2ccccc2C)c1C.
What is the InChIKey of N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is BJAYKOSNYAWKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-6-4-5-7-12(10)8-18-14-11(2)13(15-3)16-9-17-14/h4-7,9H,8H2,1-3H3,(H,15,16,17).
What are the key properties of N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80889914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).