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

C15H19N3OS — CID 80962779

IUPAC2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C15H19N3OS/c1-2-7-16-13-9-14(18-15(17-13)11-5-6-11)19-10-12-4-3-8-20-12/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,16,17,18)
InChIKeyODGDZKDFBSWCOC-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.82
Rot. Bonds7

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

2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80962779) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80962779
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C15H19N3OS/c1-2-7-16-13-9-14(18-15(17-13)11-5-6-11)19-10-12-4-3-8-20-12/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,16,17,18)
InChIKeyODGDZKDFBSWCOC-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774376
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031
2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598687
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (CID 80962779) is 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is CCCNc1cc(OCc2cccs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is ODGDZKDFBSWCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-7-16-13-9-14(18-15(17-13)11-5-6-11)19-10-12-4-3-8-20-12/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80962779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).