4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

C11H20N4S — CID 104830518

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C11H20N4S/c1-7(11(2,3)4)13-9-6-8(12)14-10(15-9)16-5/h6-7H,1-5H3,(H3,12,13,14,15)
InChIKeyAHQDTXADEQLLNV-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.63
Rot. Bonds3

About 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 104830518) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID104830518
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C11H20N4S/c1-7(11(2,3)4)13-9-6-8(12)14-10(15-9)16-5/h6-7H,1-5H3,(H3,12,13,14,15)
InChIKeyAHQDTXADEQLLNV-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 104830518) is 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NC(C)C(C)(C)C)n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is AHQDTXADEQLLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-7(11(2,3)4)13-9-6-8(12)14-10(15-9)16-5/h6-7H,1-5H3,(H3,12,13,14,15).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 104830518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).