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

C15H20ClN3S — CID 103321828

IUPAC2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCC(C)(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-9-8-11-12(18-14(16)19-13(11)20-9)17-10-4-6-15(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyWQHBXQYYFNMQLP-UHFFFAOYSA-N
MW309.87 g/mol
LogP5.03
Rot. Bonds2

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

2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321828) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103321828
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCC(C)(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-9-8-11-12(18-14(16)19-13(11)20-9)17-10-4-6-15(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyWQHBXQYYFNMQLP-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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Related Compounds

2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320730
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103322101
2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322127
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103321492
2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322179
N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 137431964
1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103321912
[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103322245
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120001
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103321828) is 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CCC(C)(C)CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WQHBXQYYFNMQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-9-8-11-12(18-14(16)19-13(11)20-9)17-10-4-6-15(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(4,4-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-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).