N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine

C11H14FN5O — CID 171674081

IUPACN-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
SMILESFC1(CNc2ncnc3nc[nH]c23)CCOCC1
InChIInChI=1S/C11H14FN5O/c12-11(1-3-18-4-2-11)5-13-9-8-10(15-6-14-8)17-7-16-9/h6-7H,1-5H2,(H2,13,14,15,16,17)
InChIKeyWAUCLXZYXCNVPW-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.28
Rot. Bonds3

About N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine

N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine (PubChem CID 171674081) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
PubChem CID171674081
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC NameN-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
SMILESFC1(CNc2ncnc3nc[nH]c23)CCOCC1
InChIInChI=1S/C11H14FN5O/c12-11(1-3-18-4-2-11)5-13-9-8-10(15-6-14-8)17-7-16-9/h6-7H,1-5H2,(H2,13,14,15,16,17)
InChIKeyWAUCLXZYXCNVPW-UHFFFAOYSA-N
XLogP1.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
CID 107269112
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762
N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine
CID 94032387
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
CID 113294054
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-7H-purin-6-amine
CID 47984102
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
CID 133491700
(7H-purin-6-ylamino)methanol
CID 86209273
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine
CID 133390542
N-(morpholin-2-ylmethyl)-7H-purin-6-amine
CID 115324260

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine (CID 171674081) is N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine is FC1(CNc2ncnc3nc[nH]c23)CCOCC1.
What is the InChIKey of N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine?
The InChIKey is WAUCLXZYXCNVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c12-11(1-3-18-4-2-11)5-13-9-8-10(15-6-14-8)17-7-16-9/h6-7H,1-5H2,(H2,13,14,15,16,17).
What are the key properties of N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine?
N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine has a molecular weight of 251.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 171674081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).