[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol

C18H22N6O — CID 10806944

IUPAC[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCn1cnc2c(NCc3ccccc3)nc(N3CCCC3CO)nc21
InChIInChI=1S/C18H22N6O/c1-23-12-20-15-16(19-10-13-6-3-2-4-7-13)21-18(22-17(15)23)24-9-5-8-14(24)11-25/h2-4,6-7,12,14,25H,5,8-11H2,1H3,(H,19,21,22)
InChIKeySIQHHNCOOGVEDS-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.94
Rot. Bonds5

About [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol

[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 10806944) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID10806944
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCn1cnc2c(NCc3ccccc3)nc(N3CCCC3CO)nc21
InChIInChI=1S/C18H22N6O/c1-23-12-20-15-16(19-10-13-6-3-2-4-7-13)21-18(22-17(15)23)24-9-5-8-14(24)11-25/h2-4,6-7,12,14,25H,5,8-11H2,1H3,(H,19,21,22)
InChIKeySIQHHNCOOGVEDS-UHFFFAOYSA-N
XLogP1.94
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-(benzylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]pyrrolidin-2-yl]methanol
CID 117082494
[1-[6-(2-phenoxyethylamino)-9-phenylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117085845
(2R,3R,4S,5R)-2-[6-(2,2-diphenylethylamino)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11848740
[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117084725
2-[[6-(benzylamino)-9-(trideuteriomethyl)purin-2-yl]amino]ethanol
CID 169445059
2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethanol
CID 117081150
2-[4-[1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol
CID 177372356
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
[1-[6-[2-[di(propan-2-yl)amino]ethylamino]-9-thiophen-3-ylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117080461
3-[[[5-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-triazolo[4,5-d]pyrimidin-7-yl]amino]methyl]-6-methoxybenzene-1,2-diol
CID 85153305
(E)-N-hydroxy-3-[4-[[(9-methyl-2-piperidin-1-ylpurin-6-yl)amino]methyl]phenyl]prop-2-enamide
CID 155550218
4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethyl]phenol
CID 117079048

Frequently Asked Questions

What is the IUPAC name of [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol (CID 10806944) is [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol is Cn1cnc2c(NCc3ccccc3)nc(N3CCCC3CO)nc21.
What is the InChIKey of [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SIQHHNCOOGVEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-12-20-15-16(19-10-13-6-3-2-4-7-13)21-18(22-17(15)23)24-9-5-8-14(24)11-25/h2-4,6-7,12,14,25H,5,8-11H2,1H3,(H,19,21,22).
What are the key properties of [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol?
[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 338.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10806944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).