N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C17H20N4O3 — CID 46989152

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCN(Cc1cccc(OC)c1OC)c1ncnc2oc(C)nc12
InChIInChI=1S/C17H20N4O3/c1-5-21(9-12-7-6-8-13(22-3)15(12)23-4)16-14-17(19-10-18-16)24-11(2)20-14/h6-8,10H,5,9H2,1-4H3
InChIKeyZDJVNOKJKNHJOA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.97
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 46989152) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID46989152
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCN(Cc1cccc(OC)c1OC)c1ncnc2oc(C)nc12
InChIInChI=1S/C17H20N4O3/c1-5-21(9-12-7-6-8-13(22-3)15(12)23-4)16-14-17(19-10-18-16)24-11(2)20-14/h6-8,10H,5,9H2,1-4H3
InChIKeyZDJVNOKJKNHJOA-UHFFFAOYSA-N
XLogP2.97
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-[(2,3-dimethoxyphenyl)methyl]-8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3795947
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 67874673
N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
CID 131899641
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 47047818
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene
CID 119082565
N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72867308
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 46989152) is N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CCN(Cc1cccc(OC)c1OC)c1ncnc2oc(C)nc12.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ZDJVNOKJKNHJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-5-21(9-12-7-6-8-13(22-3)15(12)23-4)16-14-17(19-10-18-16)24-11(2)20-14/h6-8,10H,5,9H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 328.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 46989152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).