N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide

C20H17N7O — CID 11610403

IUPACN-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2c(-c3cncnc3)ncnc21
InChIInChI=1S/C20H17N7O/c1-12-2-3-13(20(28)26-15-4-5-15)6-16(12)27-11-25-18-17(23-10-24-19(18)27)14-7-21-9-22-8-14/h2-3,6-11,15H,4-5H2,1H3,(H,26,28)
InChIKeyMEHKZPKNGJUAID-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide

N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide (PubChem CID 11610403) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide
PubChem CID11610403
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2c(-c3cncnc3)ncnc21
InChIInChI=1S/C20H17N7O/c1-12-2-3-13(20(28)26-15-4-5-15)6-16(12)27-11-25-18-17(23-10-24-19(18)27)14-7-21-9-22-8-14/h2-3,6-11,15H,4-5H2,1H3,(H,26,28)
InChIKeyMEHKZPKNGJUAID-UHFFFAOYSA-N
XLogP2.47
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methylbenzamide
CID 11502193
N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide
CID 11531550
N-cyclopropyl-4-methyl-3-[6-(2-methylbutylamino)purin-9-yl]benzamide
CID 68527878
3-[6-(2-bicyclo[2.1.1]hexanylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide
CID 70984061
N-cyclopropyl-3-[6-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]purin-9-yl]benzamide
CID 68531729
3-[9-[3-(butan-2-ylcarbamoyl)phenyl]purin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 143074273
N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide
CID 58900045
3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide
CID 143074294
[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 24860659
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
CID 58269141
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide (CID 11610403) is N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2c(-c3cncnc3)ncnc21.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide?
The InChIKey is MEHKZPKNGJUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-12-2-3-13(20(28)26-15-4-5-15)6-16(12)27-11-25-18-17(23-10-24-19(18)27)14-7-21-9-22-8-14/h2-3,6-11,15H,4-5H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide?
N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide has a molecular weight of 371.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide is sourced from PubChem (CID 11610403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).