2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid

C14H17N3O2S — CID 64700972

IUPAC2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESCc1cc2c(NC3(CC(=O)O)CCCC3)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-6-10-12(15-8-16-13(10)20-9)17-14(7-11(18)19)4-2-3-5-14/h6,8H,2-5,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyIDNCUCNBOCFAND-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid

2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid (PubChem CID 64700972) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid
PubChem CID64700972
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESCc1cc2c(NC3(CC(=O)O)CCCC3)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-6-10-12(15-8-16-13(10)20-9)17-14(7-11(18)19)4-2-3-5-14/h6,8H,2-5,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyIDNCUCNBOCFAND-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid (CID 64700972) is 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid is Cc1cc2c(NC3(CC(=O)O)CCCC3)ncnc2s1.
What is the InChIKey of 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The InChIKey is IDNCUCNBOCFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-6-10-12(15-8-16-13(10)20-9)17-14(7-11(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 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid has a molecular weight of 291.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64700972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).