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

C13H17N3OS — CID 80962886

IUPAC2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(OCc2cccs2)n1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)12-15-10(14)7-11(16-12)17-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H2,14,15,16)
InChIKeyJNMVEFVUQBRVDD-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.00
Rot. Bonds3

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

2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80962886) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80962886
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(OCc2cccs2)n1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)12-15-10(14)7-11(16-12)17-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H2,14,15,16)
InChIKeyJNMVEFVUQBRVDD-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816
2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80949557
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774376
[2-tert-butyl-5-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 81000733
2-tert-butyl-4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959395
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
CID 80962786
2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80965893
N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62503226
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carbonitrile
CID 114766908
2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
CID 102715246

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (CID 80962886) is 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is CC(C)(C)c1nc(N)cc(OCc2cccs2)n1.
What is the InChIKey of 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is JNMVEFVUQBRVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)12-15-10(14)7-11(16-12)17-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80962886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).