2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine

C10H12ClN3S — CID 169436107

IUPAC2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
SMILES[2H]C([2H])([2H])N(c1nc(Cl)nc2sc(CC)cc12)C([2H])([2H])[2H]
InChIInChI=1S/C10H12ClN3S/c1-4-6-5-7-8(14(2)3)12-10(11)13-9(7)15-6/h5H,4H2,1-3H3/i2D3,3D3
InChIKeyILBOWMDRTJNOAC-XERRXZQWSA-N
MW247.78 g/mol
LogP2.97
Rot. Bonds4

About 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 169436107) has the molecular formula C10H12ClN3S and a molecular weight of 247.78 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID169436107
Molecular FormulaC10H12ClN3S
Molecular Weight247.78 g/mol
Exact Mass247.08
IUPAC Name2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
SMILES[2H]C([2H])([2H])N(c1nc(Cl)nc2sc(CC)cc12)C([2H])([2H])[2H]
InChIInChI=1S/C10H12ClN3S/c1-4-6-5-7-8(14(2)3)12-10(11)13-9(7)15-6/h5H,4H2,1-3H3/i2D3,3D3
InChIKeyILBOWMDRTJNOAC-XERRXZQWSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.78
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321396
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321245
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320932
1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 103321162
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 93214037
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783
2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
CID 103320232
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine (CID 169436107) is 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine is [2H]C([2H])([2H])N(c1nc(Cl)nc2sc(CC)cc12)C([2H])([2H])[2H].
What is the InChIKey of 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ILBOWMDRTJNOAC-XERRXZQWSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-4-6-5-7-8(14(2)3)12-10(11)13-9(7)15-6/h5H,4H2,1-3H3/i2D3,3D3.
What are the key properties of 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 247.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169436107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).