(7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine

C11H14ClIN2S — CID 156578203

IUPAC(7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)[C@](C)(I)CC2(C)C
InChIInChI=1S/C11H14ClIN2S/c1-10(2)5-11(3,13)7-6(10)8(12)15-9(14-7)16-4/h5H2,1-4H3/t11-/m1/s1
InChIKeyFLMBKEKJSQGDBD-LLVKDONJSA-N
MW368.67 g/mol
LogP4.18
Rot. Bonds1

About (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine

(7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine (PubChem CID 156578203) has the molecular formula C11H14ClIN2S and a molecular weight of 368.67 g/mol. Its IUPAC name is (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine
PubChem CID156578203
Molecular FormulaC11H14ClIN2S
Molecular Weight368.67 g/mol
Exact Mass367.96
IUPAC Name(7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)[C@](C)(I)CC2(C)C
InChIInChI=1S/C11H14ClIN2S/c1-10(2)5-11(3,13)7-6(10)8(12)15-9(14-7)16-4/h5H2,1-4H3/t11-/m1/s1
InChIKeyFLMBKEKJSQGDBD-LLVKDONJSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

4-chloro-8,8-difluoro-2-methylsulfanyl-5,6-dihydropyrano[3,4-d]pyrimidine
CID 168954059
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
6-chloro-5-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 71303951
1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 88822901
4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
CID 102286122
4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
CID 118020221
4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 168876777
4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine
CID 91248195
(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
CID 88942303
4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 135021333
4,6,7-trichloro-2-methylpteridine;4,6,7-trichloro-2-methylsulfanylpteridine
CID 159437158
5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 88769703

Frequently Asked Questions

What is the IUPAC name of (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine?
The IUPAC name of (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine (CID 156578203) is (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine.
What is the SMILES notation for (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine?
The canonical SMILES for (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine is CSc1nc(Cl)c2c(n1)[C@](C)(I)CC2(C)C.
What is the InChIKey of (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine?
The InChIKey is FLMBKEKJSQGDBD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14ClIN2S/c1-10(2)5-11(3,13)7-6(10)8(12)15-9(14-7)16-4/h5H2,1-4H3/t11-/m1/s1.
What are the key properties of (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine?
(7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine has a molecular weight of 368.67 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-chloro-7-iodo-5,5,7-trimethyl-2-methylsulfanyl-6H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 156578203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).