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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Related Compounds

3-((6-Ethylthieno(2,3-d)pyrimidin-4-yl)amino)propanoic acid
CID 647613
N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-L-phenylalanine
CID 769461
(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
CID 138756814
(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylamino)-acetic acid
CID 650309
6-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamino)hexanoic acid
CID 1690607
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-L-phenylalanine
CID 805371
2-(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylamino)-3-phenyl-propionic acid
CID 2930466
N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-L-alanine
CID 659391
3-(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-ylamino)-propionic acid
CID 654691
N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)valine
CID 2930113
3-(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylamino)-propionic acid
CID 724915
4-Methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)pentanoic acid
CID 3151029

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).