4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine

C14H19N3OS — CID 112637254

IUPAC4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC(CC)c2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-4-11(12-7-6-8-19-12)16-14-15-10(3)9-13(17-14)18-5-2/h6-9,11H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyMOFGOTPTOAZXLR-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.81
Rot. Bonds6

About 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine (PubChem CID 112637254) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
PubChem CID112637254
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC(CC)c2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-4-11(12-7-6-8-19-12)16-14-15-10(3)9-13(17-14)18-5-2/h6-9,11H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyMOFGOTPTOAZXLR-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
5-methoxy-2-methyl-N-(1-thiophen-2-ylpropyl)pyridin-4-amine
CID 106660407
4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 106231121
N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133336478

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine (CID 112637254) is 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine is CCOc1cc(C)nc(NC(CC)c2cccs2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
The InChIKey is MOFGOTPTOAZXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-11(12-7-6-8-19-12)16-14-15-10(3)9-13(17-14)18-5-2/h6-9,11H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112637254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).