2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine

C11H18N4S — CID 106973902

IUPAC2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine
SMILESCSc1cc(NC2CC(N)C2(C)C)ncn1
InChIInChI=1S/C11H18N4S/c1-11(2)7(12)4-8(11)15-9-5-10(16-3)14-6-13-9/h5-8H,4,12H2,1-3H3,(H,13,14,15)
InChIKeyTUFUNBCJVQTERX-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.74
Rot. Bonds3

About 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine

2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine (PubChem CID 106973902) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine
PubChem CID106973902
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine
SMILESCSc1cc(NC2CC(N)C2(C)C)ncn1
InChIInChI=1S/C11H18N4S/c1-11(2)7(12)4-8(11)15-9-5-10(16-3)14-6-13-9/h5-8H,4,12H2,1-3H3,(H,13,14,15)
InChIKeyTUFUNBCJVQTERX-UHFFFAOYSA-N
XLogP1.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine (CID 106973902) is 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine is CSc1cc(NC2CC(N)C2(C)C)ncn1.
What is the InChIKey of 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine?
The InChIKey is TUFUNBCJVQTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-11(2)7(12)4-8(11)15-9-5-10(16-3)14-6-13-9/h5-8H,4,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine?
2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine has a molecular weight of 238.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 106973902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).