N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H16N6O2 — CID 72844946

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCn1cncc1CNc1ncnc2onc(C)c12
InChIInChI=1S/C13H16N6O2/c1-9-11-12(16-7-17-13(11)21-18-9)15-6-10-5-14-8-19(10)3-4-20-2/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyYLZDMTVMWWSFRV-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.38
Rot. Bonds6

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72844946) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72844946
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCn1cncc1CNc1ncnc2onc(C)c12
InChIInChI=1S/C13H16N6O2/c1-9-11-12(16-7-17-13(11)21-18-9)15-6-10-5-14-8-19(10)3-4-20-2/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyYLZDMTVMWWSFRV-UHFFFAOYSA-N
XLogP1.38
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72844946) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COCCn1cncc1CNc1ncnc2onc(C)c12.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YLZDMTVMWWSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-9-11-12(16-7-17-13(11)21-18-9)15-6-10-5-14-8-19(10)3-4-20-2/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72844946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).