2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H20N4S — CID 62182196

IUPAC2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(CC)Cc1nc(NC)c2ccsc2n1
InChIInChI=1S/C13H20N4S/c1-4-7-17(5-2)9-11-15-12(14-3)10-6-8-18-13(10)16-11/h6,8H,4-5,7,9H2,1-3H3,(H,14,15,16)
InChIKeyZIGIWQHWSKYVIU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.96
Rot. Bonds6

About 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62182196) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62182196
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(CC)Cc1nc(NC)c2ccsc2n1
InChIInChI=1S/C13H20N4S/c1-4-7-17(5-2)9-11-15-12(14-3)10-6-8-18-13(10)16-11/h6,8H,4-5,7,9H2,1-3H3,(H,14,15,16)
InChIKeyZIGIWQHWSKYVIU-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63692488
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184210
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478
N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine
CID 62245884
N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 81074567
2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62208644
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 102870575
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62182196) is 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CCCN(CC)Cc1nc(NC)c2ccsc2n1.
What is the InChIKey of 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIGIWQHWSKYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-7-17(5-2)9-11-15-12(14-3)10-6-8-18-13(10)16-11/h6,8H,4-5,7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 264.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62182196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).