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

C13H24N4S — CID 80801282

IUPAC4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)CCCC(C)C)n1
InChIInChI=1S/C13H24N4S/c1-9(2)6-5-7-10(3)15-12-8-11(14)16-13(17-12)18-4/h8-10H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeySJHNRHZWFALLPM-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.41
Rot. Bonds7

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

4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80801282) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80801282
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)CCCC(C)C)n1
InChIInChI=1S/C13H24N4S/c1-9(2)6-5-7-10(3)15-12-8-11(14)16-13(17-12)18-4/h8-10H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeySJHNRHZWFALLPM-UHFFFAOYSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80800383
4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80831312
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80831839
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 104830518
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80801282) is 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NC(C)CCCC(C)C)n1.
What is the InChIKey of 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is SJHNRHZWFALLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-9(2)6-5-7-10(3)15-12-8-11(14)16-13(17-12)18-4/h8-10H,5-7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80801282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).