4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

C13H18N4S — CID 102686178

IUPAC4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCc1csc2c(NC3CCC(N)CC3)ncnc12
InChIInChI=1S/C13H18N4S/c1-8-6-18-12-11(8)15-7-16-13(12)17-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyOJTIFADDGQMMSR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.68
Rot. Bonds2

About 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 102686178) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID102686178
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCc1csc2c(NC3CCC(N)CC3)ncnc12
InChIInChI=1S/C13H18N4S/c1-8-6-18-12-11(8)15-7-16-13(12)17-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyOJTIFADDGQMMSR-UHFFFAOYSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686679
methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 102687139
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
7-methyl-N-(1-propylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686395
N-(2,2-dimethylcyclopropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686423
N-[2-(aminomethyl)cyclohexyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686896
7-methyl-N-(2,2,3,3-tetramethylcyclopropyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686575
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxycyclopentan-1-amine
CID 102687168
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (CID 102686178) is 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is Cc1csc2c(NC3CCC(N)CC3)ncnc12.
What is the InChIKey of 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is OJTIFADDGQMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-6-18-12-11(8)15-7-16-13(12)17-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 102686178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).