3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide

C20H24N6O — CID 143074294

IUPAC3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2c1NC=NC2NC1CCC1
InChIInChI=1S/C20H24N6O/c1-12-5-6-13(20(27)25-15-7-8-15)9-16(12)26-11-23-17-18(21-10-22-19(17)26)24-14-3-2-4-14/h5-6,9-11,14-15,18,24H,2-4,7-8H2,1H3,(H,21,22)(H,25,27)
InChIKeyFUBCQWTUXXQKGU-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.67
Rot. Bonds5

About 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide

3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 143074294) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID143074294
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2c1NC=NC2NC1CCC1
InChIInChI=1S/C20H24N6O/c1-12-5-6-13(20(27)25-15-7-8-15)9-16(12)26-11-23-17-18(21-10-22-19(17)26)24-14-3-2-4-14/h5-6,9-11,14-15,18,24H,2-4,7-8H2,1H3,(H,21,22)(H,25,27)
InChIKeyFUBCQWTUXXQKGU-UHFFFAOYSA-N
XLogP2.67
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
N-cyclopropyl-4-methyl-3-[6-(2-methylbutylamino)purin-9-yl]benzamide
CID 68527878
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080
N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide
CID 11531550
N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide
CID 11610403
3-[6-(2-bicyclo[2.1.1]hexanylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide
CID 70984061
N-cyclopropyl-4-methyl-3-[2-oxo-3-(1-phenylpropylamino)pyrazin-1-yl]benzamide
CID 77178772
N-cyclopropyl-3-[3-[[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689057
3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 24860659
N-cyclopropyl-4-methyl-3-[2-oxo-3-(3-phenylpropylamino)pyrazin-1-yl]benzamide
CID 66689834

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide (CID 143074294) is 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2c1NC=NC2NC1CCC1.
What is the InChIKey of 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is FUBCQWTUXXQKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-5-6-13(20(27)25-15-7-8-15)9-16(12)26-11-23-17-18(21-10-22-19(17)26)24-14-3-2-4-14/h5-6,9-11,14-15,18,24H,2-4,7-8H2,1H3,(H,21,22)(H,25,27).
What are the key properties of 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide?
3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 143074294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).