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

C15H20ClN3S — CID 103322101

IUPAC2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCCCC3(C)C)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-9-8-10-12(18-14(16)19-13(10)20-9)17-11-6-4-5-7-15(11,2)3/h8,11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeySIQGTKUWUNHBTG-UHFFFAOYSA-N
MW309.87 g/mol
LogP5.03
Rot. Bonds2

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

2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322101) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103322101
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCCCC3(C)C)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-9-8-10-12(18-14(16)19-13(10)20-9)17-11-6-4-5-7-15(11,2)3/h8,11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeySIQGTKUWUNHBTG-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.87
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103322101) is 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CCCCC3(C)C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SIQGTKUWUNHBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-9-8-10-12(18-14(16)19-13(10)20-9)17-11-6-4-5-7-15(11,2)3/h8,11H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.87 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).