2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid

C10H14ClN3O2S — CID 42753820

IUPAC2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid
SMILESCCCN(C)c1cc(Cl)nc(SCC(=O)O)n1
InChIInChI=1S/C10H14ClN3O2S/c1-3-4-14(2)8-5-7(11)12-10(13-8)17-6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeySVOGANPKZVWMNC-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.15
Rot. Bonds6

About 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid

2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid (PubChem CID 42753820) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid
PubChem CID42753820
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid
SMILESCCCN(C)c1cc(Cl)nc(SCC(=O)O)n1
InChIInChI=1S/C10H14ClN3O2S/c1-3-4-14(2)8-5-7(11)12-10(13-8)17-6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeySVOGANPKZVWMNC-UHFFFAOYSA-N
XLogP2.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 42754057
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 5202723
2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-propylacetamide
CID 5135355
4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7236869
2-[4-chloro-6-[2-hydroxyethyl(methyl)amino]pyrimidin-2-yl]sulfanylacetaldehyde
CID 57100919
2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-pentylacetamide
CID 5099411
4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide
CID 3466791
4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide
CID 42754498
2-[4-chloro-6-(2,3-dimethyl-N-propan-2-ylanilino)pyrimidin-2-yl]sulfanylacetic acid
CID 155530735
3-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide
CID 42754278
1-(4-acetylpiperazin-1-yl)-2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylethanone
CID 42754050
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid (CID 42753820) is 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid is CCCN(C)c1cc(Cl)nc(SCC(=O)O)n1.
What is the InChIKey of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is SVOGANPKZVWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-3-4-14(2)8-5-7(11)12-10(13-8)17-6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid?
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 275.76 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 42753820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).