2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine

C11H18N4S — CID 8806563

IUPAC2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCC2CCCCC2)n1
InChIInChI=1S/C11H18N4S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15)
InChIKeyNMRXAUDADJAKLL-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.31
Rot. Bonds3

About 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine

2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 8806563) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID8806563
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCC2CCCCC2)n1
InChIInChI=1S/C11H18N4S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15)
InChIKeyNMRXAUDADJAKLL-UHFFFAOYSA-N
XLogP2.31
TPSA77.82 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine (CID 8806563) is 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is NMRXAUDADJAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15).
What are the key properties of 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine?
2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 8806563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).