2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine

C14H20N6O2S — CID 110255470

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C14H20N6O2S/c1-9-7-14(19-18-9)17-13-8-11(15-10(2)16-13)12-5-4-6-20(12)23(3,21)22/h7-8,12H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyALXQBOKUBHFGRJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine (PubChem CID 110255470) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
PubChem CID110255470
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C14H20N6O2S/c1-9-7-14(19-18-9)17-13-8-11(15-10(2)16-13)12-5-4-6-20(12)23(3,21)22/h7-8,12H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyALXQBOKUBHFGRJ-UHFFFAOYSA-N
XLogP1.66
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine (CID 110255470) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine is Cc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The InChIKey is ALXQBOKUBHFGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-9-7-14(19-18-9)17-13-8-11(15-10(2)16-13)12-5-4-6-20(12)23(3,21)22/h7-8,12H,4-6H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 110255470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).