2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H22ClN3S — CID 103322127

IUPAC2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)C3CCC(C)(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C16H22ClN3S/c1-10-9-12-13(18-15(17)19-14(12)21-10)20(4)11-5-7-16(2,3)8-6-11/h9,11H,5-8H2,1-4H3
InChIKeyFWZWDWIFGOTASE-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.06
Rot. Bonds2

About 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322127) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103322127
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)C3CCC(C)(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C16H22ClN3S/c1-10-9-12-13(18-15(17)19-14(12)21-10)20(4)11-5-7-16(2,3)8-6-11/h9,11H,5-8H2,1-4H3
InChIKeyFWZWDWIFGOTASE-UHFFFAOYSA-N
XLogP5.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321828
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547
N-cyclohexyl-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334925
2-chloro-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322056
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103322101
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-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103320605
2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320677
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 103322127) is 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(C)C3CCC(C)(C)CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FWZWDWIFGOTASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-10-9-12-13(18-15(17)19-14(12)21-10)20(4)11-5-7-16(2,3)8-6-11/h9,11H,5-8H2,1-4H3.
What are the key properties of 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 323.89 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).