4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine

C20H21N7O — CID 58102437

IUPAC4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine
SMILESc1nc2ccc(-c3nc(N4CCOCC4)nc4c3ncn4CC3CC3)cc2[nH]1
InChIInChI=1S/C20H21N7O/c1-2-13(1)10-27-12-23-18-17(14-3-4-15-16(9-14)22-11-21-15)24-20(25-19(18)27)26-5-7-28-8-6-26/h3-4,9,11-13H,1-2,5-8,10H2,(H,21,22)
InChIKeyHOAMRASYAYQSSZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.62
Rot. Bonds4

About 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine

4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine (PubChem CID 58102437) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine
PubChem CID58102437
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine
SMILESc1nc2ccc(-c3nc(N4CCOCC4)nc4c3ncn4CC3CC3)cc2[nH]1
InChIInChI=1S/C20H21N7O/c1-2-13(1)10-27-12-23-18-17(14-3-4-15-16(9-14)22-11-21-15)24-20(25-19(18)27)26-5-7-28-8-6-26/h3-4,9,11-13H,1-2,5-8,10H2,(H,21,22)
InChIKeyHOAMRASYAYQSSZ-UHFFFAOYSA-N
XLogP2.62
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate
CID 157433503
4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
CID 58102423
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
4-(3H-benzimidazol-5-yl)-N-(2,5-dihydropyridin-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 91065587
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
CID 29185404
3-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine?
The IUPAC name of 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine (CID 58102437) is 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine?
The canonical SMILES for 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine is c1nc2ccc(-c3nc(N4CCOCC4)nc4c3ncn4CC3CC3)cc2[nH]1.
What is the InChIKey of 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine?
The InChIKey is HOAMRASYAYQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-2-13(1)10-27-12-23-18-17(14-3-4-15-16(9-14)22-11-21-15)24-20(25-19(18)27)26-5-7-28-8-6-26/h3-4,9,11-13H,1-2,5-8,10H2,(H,21,22).
What are the key properties of 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine?
4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine is sourced from PubChem (CID 58102437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).