2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C15H22ClN3S — CID 103320887

IUPAC2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)CN(CC)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C15H22ClN3S/c1-5-11(6-2)9-19(7-3)13-12-8-10(4)20-14(12)18-15(16)17-13/h8,11H,5-7,9H2,1-4H3
InChIKeyQCYDLCALHQTQNT-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.92
Rot. Bonds6

About 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320887) has the molecular formula C15H22ClN3S and a molecular weight of 311.88 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320887
Molecular FormulaC15H22ClN3S
Molecular Weight311.88 g/mol
Exact Mass311.12
IUPAC Name2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)CN(CC)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C15H22ClN3S/c1-5-11(6-2)9-19(7-3)13-12-8-10(4)20-14(12)18-15(16)17-13/h8,11H,5-7,9H2,1-4H3
InChIKeyQCYDLCALHQTQNT-UHFFFAOYSA-N
XLogP4.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320918
2-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320885
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328905
2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
CID 63550299
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325707
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482198
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 103321662
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103320887) is 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCC(CC)CN(CC)c1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QCYDLCALHQTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3S/c1-5-11(6-2)9-19(7-3)13-12-8-10(4)20-14(12)18-15(16)17-13/h8,11H,5-7,9H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.88 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).