2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid

C10H14N4O2S — CID 63098272

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
SMILESNc1cc(N)nc(SC2CCCC2C(=O)O)n1
InChIInChI=1S/C10H14N4O2S/c11-7-4-8(12)14-10(13-7)17-6-3-1-2-5(6)9(15)16/h4-6H,1-3H2,(H,15,16)(H4,11,12,13,14)
InChIKeyZYHOIKXUBWMFKC-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.99
Rot. Bonds3

About 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid

2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 63098272) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID63098272
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
SMILESNc1cc(N)nc(SC2CCCC2C(=O)O)n1
InChIInChI=1S/C10H14N4O2S/c11-7-4-8(12)14-10(13-7)17-6-3-1-2-5(6)9(15)16/h4-6H,1-3H2,(H,15,16)(H4,11,12,13,14)
InChIKeyZYHOIKXUBWMFKC-UHFFFAOYSA-N
XLogP0.99
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxylic acid
CID 65041135
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100311
2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 63099108
2-(4-chlorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 63099604
2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 55182248
2-(3-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 63099135
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100140
2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol
CID 113288637
2-(3,4-difluorophenyl)sulfanylcyclohexane-1-carboxylic acid
CID 55179561
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptane-1-carboxylic acid
CID 63097731
2-(1H-1,2,4-triazol-5-ylsulfanyl)cycloheptane-1-carboxylic acid
CID 63099433
2-pyrazin-2-ylsulfanylcycloheptane-1-carboxylic acid
CID 55249096

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid (CID 63098272) is 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid is Nc1cc(N)nc(SC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is ZYHOIKXUBWMFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-7-4-8(12)14-10(13-7)17-6-3-1-2-5(6)9(15)16/h4-6H,1-3H2,(H,15,16)(H4,11,12,13,14).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid?
2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 63098272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).