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

C16H20F2N4O — CID 134410698

IUPAC[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone
SMILESCc1nc2c(c(N3CCC3)n1)CN(C(=O)C1CCC(F)(F)C1)C2
InChIInChI=1S/C16H20F2N4O/c1-10-19-13-9-22(15(23)11-3-4-16(17,18)7-11)8-12(13)14(20-10)21-5-2-6-21/h11H,2-9H2,1H3
InChIKeyUGDSOJBPFATDDI-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.27
Rot. Bonds2

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

[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone (PubChem CID 134410698) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone
PubChem CID134410698
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Name[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone
SMILESCc1nc2c(c(N3CCC3)n1)CN(C(=O)C1CCC(F)(F)C1)C2
InChIInChI=1S/C16H20F2N4O/c1-10-19-13-9-22(15(23)11-3-4-16(17,18)7-11)8-12(13)14(20-10)21-5-2-6-21/h11H,2-9H2,1H3
InChIKeyUGDSOJBPFATDDI-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 134410704
[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclohexylmethanone
CID 5260777
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-pyrimidin-4-ylpyrrolidin-3-yl)methanone
CID 177061324
[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
6-[(3R)-3-[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrrolidin-1-yl]-5-chloropyridine-3-carbonitrile
CID 177061325
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone
CID 134410819
2-methyl-1-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
CID 7261849
N,N,2-trimethyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786611
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134410676
1-[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]ethanone;ethane
CID 177061202
1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione
CID 56872115
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3-phenoxypyrrolidin-1-yl)methanone
CID 134410721

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone?
The IUPAC name of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone (CID 134410698) is [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone.
What is the SMILES notation for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone?
The canonical SMILES for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone is Cc1nc2c(c(N3CCC3)n1)CN(C(=O)C1CCC(F)(F)C1)C2.
What is the InChIKey of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone?
The InChIKey is UGDSOJBPFATDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-10-19-13-9-22(15(23)11-3-4-16(17,18)7-11)8-12(13)14(20-10)21-5-2-6-21/h11H,2-9H2,1H3.
What are the key properties of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone?
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone has a molecular weight of 322.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(3,3-difluorocyclopentyl)methanone is sourced from PubChem (CID 134410698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).