5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine

C13H17N3OS — CID 80872234

IUPAC5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCc2cccs2)c1C
InChIInChI=1S/C13H17N3OS/c1-3-6-14-12-10(2)13(16-9-15-12)17-8-11-5-4-7-18-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15,16)
InChIKeyIESNZWSMVFIMNO-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.25
Rot. Bonds6

About 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine

5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80872234) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80872234
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCc2cccs2)c1C
InChIInChI=1S/C13H17N3OS/c1-3-6-14-12-10(2)13(16-9-15-12)17-8-11-5-4-7-18-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15,16)
InChIKeyIESNZWSMVFIMNO-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990902
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780258
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
N-ethyl-5-nitro-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80873175
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152667

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (CID 80872234) is 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is CCCNc1ncnc(OCc2cccs2)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is IESNZWSMVFIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-6-14-12-10(2)13(16-9-15-12)17-8-11-5-4-7-18-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80872234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).