7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine

C7H6ClN3S — CID 139269700

IUPAC7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCSc1ncc2[nH]cc(Cl)c2n1
InChIInChI=1S/C7H6ClN3S/c1-12-7-10-3-5-6(11-7)4(8)2-9-5/h2-3,9H,1H3
InChIKeyXLXVHYUQXIFHEP-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.33
Rot. Bonds1

About 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine

7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 139269700) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID139269700
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCSc1ncc2[nH]cc(Cl)c2n1
InChIInChI=1S/C7H6ClN3S/c1-12-7-10-3-5-6(11-7)4(8)2-9-5/h2-3,9H,1H3
InChIKeyXLXVHYUQXIFHEP-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-methylsulfanyl-6-oxo-5H-pyrido[3,2-d]pyrimidine-7-carbonitrile
CID 138518561
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 54083131
5,7-dichloro-8-fluoro-2-methylsulfanyl-6,7-dihydropyrido[4,3-d]pyrimidine
CID 172607543
4-chloro-3-methyl-6-methylsulfanylpyrimido[5,4-d]pyrimidin-3-ium
CID 170257632
5-methyl-2,4-bis(methylsulfanyl)pyrimidine
CID 11401210
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine;2,5-dichloro-4-(trifluoromethyl)pyrimidine
CID 157221631
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
CID 42896727
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142697569
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 166070006

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine (CID 139269700) is 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine is CSc1ncc2[nH]cc(Cl)c2n1.
What is the InChIKey of 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is XLXVHYUQXIFHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c1-12-7-10-3-5-6(11-7)4(8)2-9-5/h2-3,9H,1H3.
What are the key properties of 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine?
7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 199.67 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 139269700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).