2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

C10H14N6S — CID 80808551

IUPAC2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCn2cccn2)n1
InChIInChI=1S/C10H14N6S/c1-17-10-14-8(11)7-9(15-10)12-4-6-16-5-2-3-13-16/h2-3,5,7H,4,6H2,1H3,(H3,11,12,14,15)
InChIKeyDZEVXVFHMRUOAF-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.09
Rot. Bonds5

About 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80808551) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80808551
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCn2cccn2)n1
InChIInChI=1S/C10H14N6S/c1-17-10-14-8(11)7-9(15-10)12-4-6-16-5-2-3-13-16/h2-3,5,7H,4,6H2,1H3,(H3,11,12,14,15)
InChIKeyDZEVXVFHMRUOAF-UHFFFAOYSA-N
XLogP1.09
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809600
2-methylsulfanyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-4,6-diamine
CID 113413349
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 106106836
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80831312
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114517029
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
methyl 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]propanoate
CID 80798638
4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (CID 80808551) is 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is CSc1nc(N)cc(NCCn2cccn2)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is DZEVXVFHMRUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-17-10-14-8(11)7-9(15-10)12-4-6-16-5-2-3-13-16/h2-3,5,7H,4,6H2,1H3,(H3,11,12,14,15).
What are the key properties of 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 250.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80808551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).