N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C15H22N4S — CID 102687372

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3CCCCC3CN)ncnc12
InChIInChI=1S/C15H22N4S/c1-10-8-20-14-13(10)18-9-19-15(14)17-7-12-5-3-2-4-11(12)6-16/h8-9,11-12H,2-7,16H2,1H3,(H,17,18,19)
InChIKeyOLWYJIMMHNQHJQ-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.18
Rot. Bonds4

About N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102687372) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102687372
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3CCCCC3CN)ncnc12
InChIInChI=1S/C15H22N4S/c1-10-8-20-14-13(10)18-9-19-15(14)17-7-12-5-3-2-4-11(12)6-16/h8-9,11-12H,2-7,16H2,1H3,(H,17,18,19)
InChIKeyOLWYJIMMHNQHJQ-UHFFFAOYSA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102687372) is N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCC3CCCCC3CN)ncnc12.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OLWYJIMMHNQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-8-20-14-13(10)18-9-19-15(14)17-7-12-5-3-2-4-11(12)6-16/h8-9,11-12H,2-7,16H2,1H3,(H,17,18,19).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102687372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).