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

C18H21N5O — CID 134410778

IUPAC[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3[C@H]2C)ccn1
InChIInChI=1S/C18H21N5O/c1-11-9-14(5-6-19-11)18(24)23-10-15-16(12(23)2)17(21-13(3)20-15)22-7-4-8-22/h5-6,9,12H,4,7-8,10H2,1-3H3/t12-/m1/s1
InChIKeySYJKQMIYZLUYCT-GFCCVEGCSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds2

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

[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 134410778) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID134410778
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3[C@H]2C)ccn1
InChIInChI=1S/C18H21N5O/c1-11-9-14(5-6-19-11)18(24)23-10-15-16(12(23)2)17(21-13(3)20-15)22-7-4-8-22/h5-6,9,12H,4,7-8,10H2,1-3H3/t12-/m1/s1
InChIKeySYJKQMIYZLUYCT-GFCCVEGCSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone with MolForge

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Related Compounds

[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3-fluorophenyl)methanone
CID 134410806
[4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
CID 134410774
[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[4-chloro-3-(difluoromethoxy)phenyl]methanone
CID 134410825
(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid;4-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
CID 177061200
1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(3,4-dichlorophenyl)-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7481830
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753419
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134410676
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanone
CID 177061379

Frequently Asked Questions

What is the IUPAC name of [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone (CID 134410778) is [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3[C@H]2C)ccn1.
What is the InChIKey of [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is SYJKQMIYZLUYCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-9-14(5-6-19-11)18(24)23-10-15-16(12(23)2)17(21-13(3)20-15)22-7-4-8-22/h5-6,9,12H,4,7-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone?
[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 134410778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).