2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C9H12N2O2S — CID 83856398

IUPAC2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(S(C)(=O)=O)n1)CCC2
InChIInChI=1S/C9H12N2O2S/c1-6-10-8-5-3-4-7(8)9(11-6)14(2,12)13/h3-5H2,1-2H3
InChIKeyBNSAMDZDKUPAHC-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.68
Rot. Bonds1

About 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 83856398) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID83856398
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(S(C)(=O)=O)n1)CCC2
InChIInChI=1S/C9H12N2O2S/c1-6-10-8-5-3-4-7(8)9(11-6)14(2,12)13/h3-5H2,1-2H3
InChIKeyBNSAMDZDKUPAHC-UHFFFAOYSA-N
XLogP0.68
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461644
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one
CID 83858925
4-methylsulfonyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
CID 83856400
(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methanamine;hydrochloride
CID 55270015
2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 142222929
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one
CID 83858928
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2,4-bis(methylsulfonyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 59634358
4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 143852557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 83856398) is 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(S(C)(=O)=O)n1)CCC2.
What is the InChIKey of 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BNSAMDZDKUPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-6-10-8-5-3-4-7(8)9(11-6)14(2,12)13/h3-5H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 212.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 83856398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).