4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

C15H22N4S — CID 123917405

IUPAC4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCc1csc2ncnc(NC3CCC(N(C)C)CC3)c12
InChIInChI=1S/C15H22N4S/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h8-9,11-12H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyACLQAQHAGYQMSL-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.28
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 123917405) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID123917405
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCc1csc2ncnc(NC3CCC(N(C)C)CC3)c12
InChIInChI=1S/C15H22N4S/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h8-9,11-12H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyACLQAQHAGYQMSL-UHFFFAOYSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (CID 123917405) is 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is Cc1csc2ncnc(NC3CCC(N(C)C)CC3)c12.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is ACLQAQHAGYQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h8-9,11-12H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(5-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 123917405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).