2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine

C12H15N3OS — CID 80949557

IUPAC2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)cc(OCc2cccs2)n1
InChIInChI=1S/C12H15N3OS/c1-2-4-11-14-10(13)7-12(15-11)16-8-9-5-3-6-17-9/h3,5-7H,2,4,8H2,1H3,(H2,13,14,15)
InChIKeyWIYOHLMMLJTJHI-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.65
Rot. Bonds5

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

2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80949557) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80949557
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)cc(OCc2cccs2)n1
InChIInChI=1S/C12H15N3OS/c1-2-4-11-14-10(13)7-12(15-11)16-8-9-5-3-6-17-9/h3,5-7H,2,4,8H2,1H3,(H2,13,14,15)
InChIKeyWIYOHLMMLJTJHI-UHFFFAOYSA-N
XLogP2.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816
2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962886
6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine
CID 80950511
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80950302
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine
CID 66019505
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
6-ethyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62503227
6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (CID 80949557) is 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is CCCc1nc(N)cc(OCc2cccs2)n1.
What is the InChIKey of 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is WIYOHLMMLJTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-4-11-14-10(13)7-12(15-11)16-8-9-5-3-6-17-9/h3,5-7H,2,4,8H2,1H3,(H2,13,14,15).
What are the key properties of 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80949557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).