1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid

C14H17N3O2S — CID 115433384

IUPAC1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc2c(NCC3(C(=O)O)CCCC3)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-6-10-11(16-8-17-12(10)20-9)15-7-14(13(18)19)4-2-3-5-14/h6,8H,2-5,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyQHNYAVVQRZQHBV-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.06
Rot. Bonds4

About 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433384) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433384
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc2c(NCC3(C(=O)O)CCCC3)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-6-10-11(16-8-17-12(10)20-9)15-7-14(13(18)19)4-2-3-5-14/h6,8H,2-5,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyQHNYAVVQRZQHBV-UHFFFAOYSA-N
XLogP3.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115433384) is 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid is Cc1cc2c(NCC3(C(=O)O)CCCC3)ncnc2s1.
What is the InChIKey of 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is QHNYAVVQRZQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-6-10-11(16-8-17-12(10)20-9)15-7-14(13(18)19)4-2-3-5-14/h6,8H,2-5,7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).