6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H17N3S — CID 62503226

IUPAC6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(Cc2cccs2)n1
InChIInChI=1S/C13H17N3S/c1-13(2,3)10-8-11(14)16-12(15-10)7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
InChIKeyDOXPIODLQJRDRZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.01
Rot. Bonds2

About 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 62503226) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID62503226
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(Cc2cccs2)n1
InChIInChI=1S/C13H17N3S/c1-13(2,3)10-8-11(14)16-12(15-10)7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
InChIKeyDOXPIODLQJRDRZ-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.01
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-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 62503226) is 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is CC(C)(C)c1cc(N)nc(Cc2cccs2)n1.
What is the InChIKey of 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is DOXPIODLQJRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,3)10-8-11(14)16-12(15-10)7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62503226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).