2-(7H-purin-6-ylamino)ethyl carbamate

C8H10N6O2 — CID 83205529

IUPAC2-(7H-purin-6-ylamino)ethyl carbamate
SMILESNC(=O)OCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N6O2/c9-8(15)16-2-1-10-6-5-7(12-3-11-5)14-4-13-6/h3-4H,1-2H2,(H2,9,15)(H2,10,11,12,13,14)
InChIKeyYQKXFEYMZBBSMR-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.14
Rot. Bonds4

About 2-(7H-purin-6-ylamino)ethyl carbamate

2-(7H-purin-6-ylamino)ethyl carbamate (PubChem CID 83205529) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-(7H-purin-6-ylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(7H-purin-6-ylamino)ethyl carbamate
PubChem CID83205529
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-(7H-purin-6-ylamino)ethyl carbamate
SMILESNC(=O)OCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N6O2/c9-8(15)16-2-1-10-6-5-7(12-3-11-5)14-4-13-6/h3-4H,1-2H2,(H2,9,15)(H2,10,11,12,13,14)
InChIKeyYQKXFEYMZBBSMR-UHFFFAOYSA-N
XLogP-0.14
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
(7H-purin-6-ylamino)methanol
CID 86209273
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[2-(3-bromophenoxy)ethyl]-7H-purin-6-amine
CID 47066472
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
N-(3-chloro-4-methoxybutyl)-7H-purin-6-amine
CID 106242996
N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide
CID 133441825
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylamino)ethyl carbamate?
The IUPAC name of 2-(7H-purin-6-ylamino)ethyl carbamate (CID 83205529) is 2-(7H-purin-6-ylamino)ethyl carbamate.
What is the SMILES notation for 2-(7H-purin-6-ylamino)ethyl carbamate?
The canonical SMILES for 2-(7H-purin-6-ylamino)ethyl carbamate is NC(=O)OCCNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-ylamino)ethyl carbamate?
The InChIKey is YQKXFEYMZBBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c9-8(15)16-2-1-10-6-5-7(12-3-11-5)14-4-13-6/h3-4H,1-2H2,(H2,9,15)(H2,10,11,12,13,14).
What are the key properties of 2-(7H-purin-6-ylamino)ethyl carbamate?
2-(7H-purin-6-ylamino)ethyl carbamate has a molecular weight of 222.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylamino)ethyl carbamate is sourced from PubChem (CID 83205529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).