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

C15H18N6O — CID 134410819

IUPAC[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nc2c(c(N3CCC3)n1)CN(C(=O)c1cnn(C)c1)C2
InChIInChI=1S/C15H18N6O/c1-10-17-13-9-21(15(22)11-6-16-19(2)7-11)8-12(13)14(18-10)20-4-3-5-20/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVQKXHPBNQJCPIH-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.88
Rot. Bonds2

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

[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 134410819) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID134410819
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nc2c(c(N3CCC3)n1)CN(C(=O)c1cnn(C)c1)C2
InChIInChI=1S/C15H18N6O/c1-10-17-13-9-21(15(22)11-6-16-19(2)7-11)8-12(13)14(18-10)20-4-3-5-20/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVQKXHPBNQJCPIH-UHFFFAOYSA-N
XLogP0.88
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134410676
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-4-yl)methanone
CID 155976842
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7264631
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,3-difluorocyclopentyl)methanone
CID 134410698
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220
(4-tert-butylphenyl)-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7216299
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3-phenoxypyrrolidin-1-yl)methanone
CID 134410721
(3,4-dichlorophenyl)-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7481830
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126

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-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone (CID 134410819) is [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone is Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1cnn(C)c1)C2.
What is the InChIKey of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is VQKXHPBNQJCPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-17-13-9-21(15(22)11-6-16-19(2)7-11)8-12(13)14(18-10)20-4-3-5-20/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of [4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 134410819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).