6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine

C10H19N5O2S — CID 80844221

IUPAC6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)CS(C)(=O)=O)nc(N)n1
InChIInChI=1S/C10H19N5O2S/c1-4-12-8-5-9(15-10(11)14-8)13-7(2)6-18(3,16)17/h5,7H,4,6H2,1-3H3,(H4,11,12,13,14,15)
InChIKeyHHNASRXZCCZKQY-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.34
Rot. Bonds6

About 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine (PubChem CID 80844221) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
PubChem CID80844221
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)CS(C)(=O)=O)nc(N)n1
InChIInChI=1S/C10H19N5O2S/c1-4-12-8-5-9(15-10(11)14-8)13-7(2)6-18(3,16)17/h5,7H,4,6H2,1-3H3,(H4,11,12,13,14,15)
InChIKeyHHNASRXZCCZKQY-UHFFFAOYSA-N
XLogP0.34
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine (CID 80844221) is 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine is CCNc1cc(NC(C)CS(C)(=O)=O)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine?
The InChIKey is HHNASRXZCCZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-4-12-8-5-9(15-10(11)14-8)13-7(2)6-18(3,16)17/h5,7H,4,6H2,1-3H3,(H4,11,12,13,14,15).
What are the key properties of 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine has a molecular weight of 273.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80844221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).