6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C11H12N4S — CID 106972572

IUPAC6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C11H12N4S/c1-16-11-6-10(14-8-15-11)13-7-9-4-2-3-5-12-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyUZNMDENPLRKSLQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.21
Rot. Bonds4

About 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 106972572) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID106972572
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C11H12N4S/c1-16-11-6-10(14-8-15-11)13-7-9-4-2-3-5-12-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyUZNMDENPLRKSLQ-UHFFFAOYSA-N
XLogP2.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972962
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106972702
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860603
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860699
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 106972572) is 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CSc1cc(NCc2ccccn2)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UZNMDENPLRKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-16-11-6-10(14-8-15-11)13-7-9-4-2-3-5-12-9/h2-6,8H,7H2,1H3,(H,13,14,15).
What are the key properties of 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 232.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106972572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).