6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

C14H26N4S — CID 80800383

IUPAC6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)CCCC(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4S/c1-10(2)7-6-8-11(3)16-13-9-12(15-4)17-14(18-13)19-5/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyXZBDUVZIUNOLSN-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.87
Rot. Bonds8

About 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80800383) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80800383
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)CCCC(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4S/c1-10(2)7-6-8-11(3)16-13-9-12(15-4)17-14(18-13)19-5/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyXZBDUVZIUNOLSN-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80800383) is 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC(C)CCCC(C)C)nc(SC)n1.
What is the InChIKey of 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is XZBDUVZIUNOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-10(2)7-6-8-11(3)16-13-9-12(15-4)17-14(18-13)19-5/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 282.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80800383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).