N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine

C10H17N3O2S — CID 72909170

IUPACN-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
SMILESCC(C)CS(=O)(=O)CCNc1ncccn1
InChIInChI=1S/C10H17N3O2S/c1-9(2)8-16(14,15)7-6-13-10-11-4-3-5-12-10/h3-5,9H,6-8H2,1-2H3,(H,11,12,13)
InChIKeyFBTHYMGLQLCZOE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine

N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine (PubChem CID 72909170) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
PubChem CID72909170
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
SMILESCC(C)CS(=O)(=O)CCNc1ncccn1
InChIInChI=1S/C10H17N3O2S/c1-9(2)8-16(14,15)7-6-13-10-11-4-3-5-12-10/h3-5,9H,6-8H2,1-2H3,(H,11,12,13)
InChIKeyFBTHYMGLQLCZOE-UHFFFAOYSA-N
XLogP0.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine (CID 72909170) is N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine is CC(C)CS(=O)(=O)CCNc1ncccn1.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The InChIKey is FBTHYMGLQLCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9(2)8-16(14,15)7-6-13-10-11-4-3-5-12-10/h3-5,9H,6-8H2,1-2H3,(H,11,12,13).
What are the key properties of N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine has a molecular weight of 243.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72909170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).