2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine

C16H12Cl2N6S2 — CID 165015220

IUPAC2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine
SMILESCSc1ccc2nc(Cl)ncc2n1.CSc1ncc2nc(Cl)ccc2n1
InChIInChI=1S/2C8H6ClN3S/c1-13-7-3-2-5-6(11-7)4-10-8(9)12-5;1-13-8-10-4-6-5(12-8)2-3-7(9)11-6/h2*2-4H,1H3
InChIKeyKHSCFLRBCNMUSO-UHFFFAOYSA-N
MW423.35 g/mol
LogP4.80
Rot. Bonds2

About 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine

2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine (PubChem CID 165015220) has the molecular formula C16H12Cl2N6S2 and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine
PubChem CID165015220
Molecular FormulaC16H12Cl2N6S2
Molecular Weight423.35 g/mol
Exact Mass421.99
IUPAC Name2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine
SMILESCSc1ccc2nc(Cl)ncc2n1.CSc1ncc2nc(Cl)ccc2n1
InChIInChI=1S/2C8H6ClN3S/c1-13-7-3-2-5-6(11-7)4-10-8(9)12-5;1-13-8-10-4-6-5(12-8)2-3-7(9)11-6/h2*2-4H,1H3
InChIKeyKHSCFLRBCNMUSO-UHFFFAOYSA-N
XLogP4.80
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methylsulfanylpyridine
CID 1477089
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine;2,5-dichloro-4-(trifluoromethyl)pyrimidine
CID 157221631
2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 82612248
5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 90356390
4-chloro-3-methyl-6-methylsulfanylpyrimido[5,4-d]pyrimidin-3-ium
CID 170257632
2,6-dichloro-1,7-naphthyridine
CID 15592374
ethane;2-methylsulfanylquinoline
CID 123701465
7-chloro-2-methylsulfanyl-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
CID 172607413
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methylpropanal
CID 143911414
5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
CID 169461709
6-[4-(benzylsulfonylmethyl)-3-fluorophenyl]-2-methylsulfanylpyrido[3,2-d]pyrimidine
CID 165048685
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 54083131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine (CID 165015220) is 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine is CSc1ccc2nc(Cl)ncc2n1.CSc1ncc2nc(Cl)ccc2n1.
What is the InChIKey of 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine?
The InChIKey is KHSCFLRBCNMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6ClN3S/c1-13-7-3-2-5-6(11-7)4-10-8(9)12-5;1-13-8-10-4-6-5(12-8)2-3-7(9)11-6/h2*2-4H,1H3.
What are the key properties of 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine?
2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine has a molecular weight of 423.35 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine;6-chloro-2-methylsulfanylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 165015220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).