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

C11H16N6S — CID 80808927

IUPAC2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)Cn2cccn2)n1
InChIInChI=1S/C11H16N6S/c1-8(7-17-5-3-4-13-17)14-10-6-9(12)15-11(16-10)18-2/h3-6,8H,7H2,1-2H3,(H3,12,14,15,16)
InChIKeyUAKIZRWENAOXTD-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.48
Rot. Bonds5

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

2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80808927) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80808927
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)Cn2cccn2)n1
InChIInChI=1S/C11H16N6S/c1-8(7-17-5-3-4-13-17)14-10-6-9(12)15-11(16-10)18-2/h3-6,8H,7H2,1-2H3,(H3,12,14,15,16)
InChIKeyUAKIZRWENAOXTD-UHFFFAOYSA-N
XLogP1.48
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809780
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80831839
4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80801282
2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934571
6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80809032
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
6-N-ethyl-2-N-(1-pyrazol-1-ylpropan-2-yl)pyrazine-2,6-diamine
CID 78990628
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80808927) is 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine is CSc1nc(N)cc(NC(C)Cn2cccn2)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is UAKIZRWENAOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-8(7-17-5-3-4-13-17)14-10-6-9(12)15-11(16-10)18-2/h3-6,8H,7H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.48, 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-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80808927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).