2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H17N3OS — CID 116728413

IUPAC2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOC(c1nc(NC)c2ccsc2n1)C1CC1
InChIInChI=1S/C13H17N3OS/c1-3-17-10(8-4-5-8)12-15-11(14-2)9-6-7-18-13(9)16-12/h6-8,10H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyZPJZDOUXKFNWGL-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.22
Rot. Bonds5

About 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116728413) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116728413
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOC(c1nc(NC)c2ccsc2n1)C1CC1
InChIInChI=1S/C13H17N3OS/c1-3-17-10(8-4-5-8)12-15-11(14-2)9-6-7-18-13(9)16-12/h6-8,10H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyZPJZDOUXKFNWGL-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728435
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328065
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729036
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
CID 116730104
N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 81074567

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 116728413) is 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CCOC(c1nc(NC)c2ccsc2n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZPJZDOUXKFNWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-17-10(8-4-5-8)12-15-11(14-2)9-6-7-18-13(9)16-12/h6-8,10H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116728413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).