4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

C14H20N4S — CID 62318881

IUPAC4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCc1sc2ncnc(NC3CCC(N)CC3)c2c1C
InChIInChI=1S/C14H20N4S/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-5-3-10(15)4-6-11/h7,10-11H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyGUVYFXCPUQFWIH-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.99
Rot. Bonds2

About 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 62318881) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID62318881
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCc1sc2ncnc(NC3CCC(N)CC3)c2c1C
InChIInChI=1S/C14H20N4S/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-5-3-10(15)4-6-11/h7,10-11H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyGUVYFXCPUQFWIH-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (CID 62318881) is 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is Cc1sc2ncnc(NC3CCC(N)CC3)c2c1C.
What is the InChIKey of 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is GUVYFXCPUQFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-5-3-10(15)4-6-11/h7,10-11H,3-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62318881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).