5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine

C16H22N4S — CID 133316495

IUPAC5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCSCCCCNc1nc(-c2ccncc2)nc(C)c1C
InChIInChI=1S/C16H22N4S/c1-12-13(2)19-16(14-6-9-17-10-7-14)20-15(12)18-8-4-5-11-21-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,18,19,20)
InChIKeyHZWBMESRZOEJOT-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.71
Rot. Bonds7

About 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine

5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133316495) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133316495
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCSCCCCNc1nc(-c2ccncc2)nc(C)c1C
InChIInChI=1S/C16H22N4S/c1-12-13(2)19-16(14-6-9-17-10-7-14)20-15(12)18-8-4-5-11-21-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,18,19,20)
InChIKeyHZWBMESRZOEJOT-UHFFFAOYSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449348
4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349530
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768152
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133344239
5,6-dimethyl-2-pyridin-4-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133415480
N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133460026
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133399802
3-methyl-N-(5-methylsulfanylpentyl)quinoxalin-2-amine
CID 104925450
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 56789843
7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 147242835

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 133316495) is 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine is CSCCCCNc1nc(-c2ccncc2)nc(C)c1C.
What is the InChIKey of 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is HZWBMESRZOEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-13(2)19-16(14-6-9-17-10-7-14)20-15(12)18-8-4-5-11-21-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,18,19,20).
What are the key properties of 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine?
5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133316495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).