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

C19H23N7O — CID 177061324

IUPAC[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone
SMILESCc1nc2c(c(N3CCC3)n1)CN(C(=O)C1CCN(c3ccncn3)C1)C2
InChIInChI=1S/C19H23N7O/c1-13-22-16-11-26(10-15(16)18(23-13)24-6-2-7-24)19(27)14-4-8-25(9-14)17-3-5-20-12-21-17/h3,5,12,14H,2,4,6-11H2,1H3
InChIKeyQZODMGZJFQRACL-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.15
Rot. Bonds3

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

[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone (PubChem CID 177061324) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone
PubChem CID177061324
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone
SMILESCc1nc2c(c(N3CCC3)n1)CN(C(=O)C1CCN(c3ccncn3)C1)C2
InChIInChI=1S/C19H23N7O/c1-13-22-16-11-26(10-15(16)18(23-13)24-6-2-7-24)19(27)14-4-8-25(9-14)17-3-5-20-12-21-17/h3,5,12,14H,2,4,6-11H2,1H3
InChIKeyQZODMGZJFQRACL-UHFFFAOYSA-N
XLogP1.15
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone (CID 177061324) is [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone is Cc1nc2c(c(N3CCC3)n1)CN(C(=O)C1CCN(c3ccncn3)C1)C2.
What is the InChIKey of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone?
The InChIKey is QZODMGZJFQRACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13-22-16-11-26(10-15(16)18(23-13)24-6-2-7-24)19(27)14-4-8-25(9-14)17-3-5-20-12-21-17/h3,5,12,14H,2,4,6-11H2,1H3.
What are the key properties of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone?
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 177061324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).