5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

C11H18BrN3S — CID 66298665

IUPAC5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CSCC)nc(CC)c1Br
InChIInChI=1S/C11H18BrN3S/c1-4-8-10(12)11(13-5-2)15-9(14-8)7-16-6-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyOSAHATVCRVHMTC-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.49
Rot. Bonds6

About 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66298665) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66298665
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CSCC)nc(CC)c1Br
InChIInChI=1S/C11H18BrN3S/c1-4-8-10(12)11(13-5-2)15-9(14-8)7-16-6-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyOSAHATVCRVHMTC-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (CID 66298665) is 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is CCNc1nc(CSCC)nc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is OSAHATVCRVHMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-4-8-10(12)11(13-5-2)15-9(14-8)7-16-6-3/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 304.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66298665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).