N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C17H18N6O2 — CID 72922068

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc2nc(CCN(C)c3ncnc4onc(C)c34)[nH]c2c1
InChIInChI=1S/C17H18N6O2/c1-10-15-16(18-9-19-17(15)25-22-10)23(2)7-6-14-20-12-5-4-11(24-3)8-13(12)21-14/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)
InChIKeyCDEQWWWZQCZHAV-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72922068) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72922068
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc2nc(CCN(C)c3ncnc4onc(C)c34)[nH]c2c1
InChIInChI=1S/C17H18N6O2/c1-10-15-16(18-9-19-17(15)25-22-10)23(2)7-6-14-20-12-5-4-11(24-3)8-13(12)21-14/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)
InChIKeyCDEQWWWZQCZHAV-UHFFFAOYSA-N
XLogP2.49
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72922068) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1ccc2nc(CCN(C)c3ncnc4onc(C)c34)[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CDEQWWWZQCZHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-15-16(18-9-19-17(15)25-22-10)23(2)7-6-14-20-12-5-4-11(24-3)8-13(12)21-14/h4-5,8-9H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 338.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72922068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).