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

C15H20ClN3S — CID 103320521

IUPAC2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCC(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-3-11-8-12-13(18-15(16)19-14(12)20-11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyBPUICHUNIGRHLS-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.90
Rot. Bonds3

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

2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320521) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320521
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCC(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-3-11-8-12-13(18-15(16)19-14(12)20-11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyBPUICHUNIGRHLS-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320494
2-chloro-6-ethyl-N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321891
6-ethyl-2-N-methyl-4-N-(3-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330658
2-chloro-N-(2,2-dimethylcyclohexyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103322099
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103322667
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 103321973
2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320521) is 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3CCC(C)CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BPUICHUNIGRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-3-11-8-12-13(18-15(16)19-14(12)20-11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.87 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).