N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H15FN4O2 — CID 126779509

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)CCOc3ccccc3F)c12
InChIInChI=1S/C15H15FN4O2/c1-10-13-14(17-9-18-15(13)22-19-10)20(2)7-8-21-12-6-4-3-5-11(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyDJZYQIANRAKQCM-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 126779509) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID126779509
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)CCOc3ccccc3F)c12
InChIInChI=1S/C15H15FN4O2/c1-10-13-14(17-9-18-15(13)22-19-10)20(2)7-8-21-12-6-4-3-5-11(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyDJZYQIANRAKQCM-UHFFFAOYSA-N
XLogP2.58
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051395
N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
CID 71871490
N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 166243700
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72922068
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
methyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-(2-phenylethyl)amino]acetate
CID 99836612
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095873
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72908975
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478585

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 126779509) is N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(N(C)CCOc3ccccc3F)c12.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DJZYQIANRAKQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-10-13-14(17-9-18-15(13)22-19-10)20(2)7-8-21-12-6-4-3-5-11(12)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 302.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126779509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).