(3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

C18H19ClN4O — CID 134410648

IUPAC(3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCc1nc2c(c(N3CC[C@H]3C)n1)CN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C18H19ClN4O/c1-11-6-7-23(11)17-15-9-22(10-16(15)20-12(2)21-17)18(24)13-4-3-5-14(19)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyAEQTUHDAFPWZBY-LLVKDONJSA-N
MW342.83 g/mol
LogP3.19
Rot. Bonds2

About (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

(3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 134410648) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID134410648
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCc1nc2c(c(N3CC[C@H]3C)n1)CN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C18H19ClN4O/c1-11-6-7-23(11)17-15-9-22(10-16(15)20-12(2)21-17)18(24)13-4-3-5-14(19)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyAEQTUHDAFPWZBY-LLVKDONJSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone 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

(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567
(3-chlorophenyl)-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7294401
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
(4-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283817
(3-chlorophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 4193486
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803
(3-chlorophenyl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
CID 138993897

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 134410648) is (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is Cc1nc2c(c(N3CC[C@H]3C)n1)CN(C(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is AEQTUHDAFPWZBY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-11-6-7-23(11)17-15-9-22(10-16(15)20-12(2)21-17)18(24)13-4-3-5-14(19)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
(3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 342.83 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-methyl-4-[(2R)-2-methylazetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 134410648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).