2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4OS — CID 103330237

IUPAC2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2(C)CCOCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-13-16-11(10-4-9-20-12(10)17-13)18-14(2)5-7-19-8-6-14/h4,9H,3,5-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFBHYTQTVKSYMRL-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.10
Rot. Bonds4

About 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330237) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330237
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2(C)CCOCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-13-16-11(10-4-9-20-12(10)17-13)18-14(2)5-7-19-8-6-14/h4,9H,3,5-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFBHYTQTVKSYMRL-UHFFFAOYSA-N
XLogP3.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330122
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322515
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330237) is 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC2(C)CCOCC2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FBHYTQTVKSYMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-15-13-16-11(10-4-9-20-12(10)17-13)18-14(2)5-7-19-8-6-14/h4,9H,3,5-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).