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

C14H20N4S — CID 79110936

IUPAC1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C14H20N4S/c1-9-7-12-13(16-8-17-14(12)19-9)18-11-5-3-10(15-2)4-6-11/h7-8,10-11,15H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyFAWARNHBRFCCBI-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.94
Rot. Bonds3

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

1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 79110936) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID79110936
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C14H20N4S/c1-9-7-12-13(16-8-17-14(12)19-9)18-11-5-3-10(15-2)4-6-11/h7-8,10-11,15H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyFAWARNHBRFCCBI-UHFFFAOYSA-N
XLogP2.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (CID 79110936) is 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is CNC1CCC(Nc2ncnc3sc(C)cc23)CC1.
What is the InChIKey of 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is FAWARNHBRFCCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-7-12-13(16-8-17-14(12)19-9)18-11-5-3-10(15-2)4-6-11/h7-8,10-11,15H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79110936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).