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

C13H17N3OS — CID 80990262

IUPAC5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-8(2)12-15-11(14)9(3)13(16-12)17-7-10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
InChIKeySYUCHTFUKFPBDA-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.13
Rot. Bonds4

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

5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80990262) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80990262
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-8(2)12-15-11(14)9(3)13(16-12)17-7-10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
InChIKeySYUCHTFUKFPBDA-UHFFFAOYSA-N
XLogP3.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990497
5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990902
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 62321741
6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990527
5-methyl-6-(thiophen-2-ylmethoxy)pyridin-3-amine
CID 62475410
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
[2-tert-butyl-5-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 81000733
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816
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-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (CID 80990262) is 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1OCc1cccs1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is SYUCHTFUKFPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)12-15-11(14)9(3)13(16-12)17-7-10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 3.13, 4 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-(thiophen-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80990262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).