2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine

C14H19N3OS — CID 80990033

IUPAC2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(OCCc2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-4-12-16-13(15-3)10(2)14(17-12)18-8-7-11-6-5-9-19-11/h5-6,9H,4,7-8H2,1-3H3,(H,15,16,17)
InChIKeyJDULDGVRGKRIRZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.07
Rot. Bonds6

About 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine (PubChem CID 80990033) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
PubChem CID80990033
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(OCCc2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-4-12-16-13(15-3)10(2)14(17-12)18-8-7-11-6-5-9-19-11/h5-6,9H,4,7-8H2,1-3H3,(H,15,16,17)
InChIKeyJDULDGVRGKRIRZ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80985864
6-but-3-ynoxy-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 106795584
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990497
5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 114073380
N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
CID 114217140
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
CID 80989853
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine (CID 80990033) is 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine is CCc1nc(NC)c(C)c(OCCc2cccs2)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is JDULDGVRGKRIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-12-16-13(15-3)10(2)14(17-12)18-8-7-11-6-5-9-19-11/h5-6,9H,4,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80990033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).