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

C13H18N4OS — CID 103330122

IUPAC2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2(C)CCOC2)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-3-14-12-15-10(9-4-7-19-11(9)16-12)17-13(2)5-6-18-8-13/h4,7H,3,5-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyQNEJCZYIQPZGSX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.71
Rot. Bonds4

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

2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330122) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330122
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2(C)CCOC2)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-3-14-12-15-10(9-4-7-19-11(9)16-12)17-13(2)5-6-18-8-13/h4,7H,3,5-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyQNEJCZYIQPZGSX-UHFFFAOYSA-N
XLogP2.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330237
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
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]cyclopropyl]methanol
CID 103329346
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
6-methyl-4-N-(3-methyloxolan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330123
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
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
5-chloro-2-N-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-2,4-diamine
CID 114114652

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330122) is 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC2(C)CCOC2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QNEJCZYIQPZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-14-12-15-10(9-4-7-19-11(9)16-12)17-13(2)5-6-18-8-13/h4,7H,3,5-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.71, 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-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).