5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine

C14H19N3OS — CID 80990497

IUPAC5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-9(2)13-16-12(15)10(3)14(17-13)18-7-6-11-5-4-8-19-11/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,17)
InChIKeyAQGLXUYFTSWLNU-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.17
Rot. Bonds5

About 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine (PubChem CID 80990497) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
PubChem CID80990497
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-9(2)13-16-12(15)10(3)14(17-13)18-7-6-11-5-4-8-19-11/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,17)
InChIKeyAQGLXUYFTSWLNU-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262
6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990527
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990902
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990033
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 43395312
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
4-(2-thiophen-2-ylethoxy)quinazolin-2-amine
CID 80872836
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80988435

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine (CID 80990497) is 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1OCCc1cccs1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is AQGLXUYFTSWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)13-16-12(15)10(3)14(17-13)18-7-6-11-5-4-8-19-11/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80990497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).