7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C18H18N6O2 — CID 146392248

IUPAC7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)O)c2cncnc21
InChIInChI=1S/C18H18N6O2/c1-10-13(3-20-18(22-10)24-5-11-2-12(11)6-24)7-23-8-15(17(25)26)14-4-19-9-21-16(14)23/h3-4,8-9,11-12H,2,5-7H2,1H3,(H,25,26)
InChIKeyOLHXEZOAZAOGCT-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.73
Rot. Bonds4

About 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 146392248) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID146392248
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)O)c2cncnc21
InChIInChI=1S/C18H18N6O2/c1-10-13(3-20-18(22-10)24-5-11-2-12(11)6-24)7-23-8-15(17(25)26)14-4-19-9-21-16(14)23/h3-4,8-9,11-12H,2,5-7H2,1H3,(H,25,26)
InChIKeyOLHXEZOAZAOGCT-UHFFFAOYSA-N
XLogP1.73
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]indole-3-carboxylic acid
CID 147731695
7-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 156826189
1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-3-methylpyrazole-4-carboxylic acid
CID 146392242
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(difluoromethyl)pyrimidin-5-yl]methyl]imidazole-4-carboxylic acid
CID 156825836
2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-[(3,4-dimethylphenyl)methoxy]pyrimidine-5-carboxylic acid
CID 144510427
[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83185063
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189400
1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
CID 159185334
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
CID 156826427

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (CID 146392248) is 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)O)c2cncnc21.
What is the InChIKey of 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is OLHXEZOAZAOGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10-13(3-20-18(22-10)24-5-11-2-12(11)6-24)7-23-8-15(17(25)26)14-4-19-9-21-16(14)23/h3-4,8-9,11-12H,2,5-7H2,1H3,(H,25,26).
What are the key properties of 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 350.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146392248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).