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

C14H20N4S — CID 102686849

IUPAC1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
SMILESCc1csc2c(NC3CCCCCC3N)ncnc12
InChIInChI=1S/C14H20N4S/c1-9-7-19-13-12(9)16-8-17-14(13)18-11-6-4-2-3-5-10(11)15/h7-8,10-11H,2-6,15H2,1H3,(H,16,17,18)
InChIKeyKTYDLHDXWFOOJL-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.07
Rot. Bonds2

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

1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine (PubChem CID 102686849) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
PubChem CID102686849
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
SMILESCc1csc2c(NC3CCCCCC3N)ncnc12
InChIInChI=1S/C14H20N4S/c1-9-7-19-13-12(9)16-8-17-14(13)18-11-6-4-2-3-5-10(11)15/h7-8,10-11H,2-6,15H2,1H3,(H,16,17,18)
InChIKeyKTYDLHDXWFOOJL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-[2-(aminomethyl)cyclohexyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686896
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686679
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
CID 61037130
N-(2,2-dimethylcyclopropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686423
7-methyl-N-[(2-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686404
7-methyl-N-(2,2,3,3-tetramethylcyclopropyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686575
N-(1-cyclohexylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686447
N-(2,6-dimethylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686620

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine?
The IUPAC name of 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine (CID 102686849) is 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine?
The canonical SMILES for 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine is Cc1csc2c(NC3CCCCCC3N)ncnc12.
What is the InChIKey of 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine?
The InChIKey is KTYDLHDXWFOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-7-19-13-12(9)16-8-17-14(13)18-11-6-4-2-3-5-10(11)15/h7-8,10-11H,2-6,15H2,1H3,(H,16,17,18).
What are the key properties of 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine?
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine is sourced from PubChem (CID 102686849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).