1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

C14H20N4OS — CID 103330744

IUPAC1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc2c(N(C)CC3(O)CCCC3)nc(N)nc2s1
InChIInChI=1S/C14H20N4OS/c1-9-7-10-11(16-13(15)17-12(10)20-9)18(2)8-14(19)5-3-4-6-14/h7,19H,3-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyAOOQAJUXPJHTRW-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.32
Rot. Bonds3

About 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 103330744) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID103330744
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc2c(N(C)CC3(O)CCCC3)nc(N)nc2s1
InChIInChI=1S/C14H20N4OS/c1-9-7-10-11(16-13(15)17-12(10)20-9)18(2)8-14(19)5-3-4-6-14/h7,19H,3-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyAOOQAJUXPJHTRW-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 103330744) is 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is Cc1cc2c(N(C)CC3(O)CCCC3)nc(N)nc2s1.
What is the InChIKey of 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is AOOQAJUXPJHTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-7-10-11(16-13(15)17-12(10)20-9)18(2)8-14(19)5-3-4-6-14/h7,19H,3-6,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 292.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103330744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).