6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine

C13H22N4S — CID 114237944

IUPAC6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
SMILESCSC1CCCN(Cc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C13H22N4S/c1-10-8-12(14)16-13(15-10)9-17-6-3-4-11(18-2)5-7-17/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyNZLMFOWUMRXFJE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.08
Rot. Bonds3

About 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine

6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine (PubChem CID 114237944) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
PubChem CID114237944
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
SMILESCSC1CCCN(Cc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C13H22N4S/c1-10-8-12(14)16-13(15-10)9-17-6-3-4-11(18-2)5-7-17/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyNZLMFOWUMRXFJE-UHFFFAOYSA-N
XLogP2.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine (CID 114237944) is 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine is CSC1CCCN(Cc2nc(C)cc(N)n2)CC1.
What is the InChIKey of 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is NZLMFOWUMRXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10-8-12(14)16-13(15-10)9-17-6-3-4-11(18-2)5-7-17/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine?
6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114237944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).