N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine

C12H15N5O — CID 133390542

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine
SMILESC1=C(CCNc2ncnc3nc[nH]c23)CCOC1
InChIInChI=1S/C12H15N5O/c1(9-2-5-18-6-3-9)4-13-11-10-12(15-7-14-10)17-8-16-11/h2,7-8H,1,3-6H2,(H2,13,14,15,16,17)
InChIKeyVGCMAHDRJZSTLB-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine (PubChem CID 133390542) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine
PubChem CID133390542
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine
SMILESC1=C(CCNc2ncnc3nc[nH]c23)CCOC1
InChIInChI=1S/C12H15N5O/c1(9-2-5-18-6-3-9)4-13-11-10-12(15-7-14-10)17-8-16-11/h2,7-8H,1,3-6H2,(H2,13,14,15,16,17)
InChIKeyVGCMAHDRJZSTLB-UHFFFAOYSA-N
XLogP1.50
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
CID 114184557
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
CID 171674081
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine (CID 133390542) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine is C1=C(CCNc2ncnc3nc[nH]c23)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine?
The InChIKey is VGCMAHDRJZSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1(9-2-5-18-6-3-9)4-13-11-10-12(15-7-14-10)17-8-16-11/h2,7-8H,1,3-6H2,(H2,13,14,15,16,17).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine has a molecular weight of 245.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 133390542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).