6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

C11H19N3S — CID 65127560

IUPAC6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCSCc1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C11H19N3S/c1-5-15-7-10-13-8(11(2,3)4)6-9(12)14-10/h6H,5,7H2,1-4H3,(H2,12,13,14)
InChIKeyYVMVKSBFOYLLQX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.61
Rot. Bonds3

About 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 65127560) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
PubChem CID65127560
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCSCc1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C11H19N3S/c1-5-15-7-10-13-8(11(2,3)4)6-9(12)14-10/h6H,5,7H2,1-4H3,(H2,12,13,14)
InChIKeyYVMVKSBFOYLLQX-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (CID 65127560) is 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is CCSCc1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is YVMVKSBFOYLLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-15-7-10-13-8(11(2,3)4)6-9(12)14-10/h6H,5,7H2,1-4H3,(H2,12,13,14).
What are the key properties of 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 65127560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).