2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine

C17H19N5O3 — CID 11501025

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3nnc(C)o3)nc(OC)n2)cc1
InChIInChI=1S/C17H19N5O3/c1-11-21-22-16(25-11)14-10-15(20-17(19-14)24-3)18-9-8-12-4-6-13(23-2)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyZCEDHPVVZXRWOW-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.51
Rot. Bonds7

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine (PubChem CID 11501025) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine
PubChem CID11501025
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3nnc(C)o3)nc(OC)n2)cc1
InChIInChI=1S/C17H19N5O3/c1-11-21-22-16(25-11)14-10-15(20-17(19-14)24-3)18-9-8-12-4-6-13(23-2)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyZCEDHPVVZXRWOW-UHFFFAOYSA-N
XLogP2.51
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide
CID 24739307
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide
CID 24739309
Pyrazole scaffold, 20
CID 25218471
(2-Methoxy-6-oxazol-5-yl-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11631233
2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide
CID 45267130
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 148916671
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454907
5-(4-methoxyphenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 71579929
5-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1100807
N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3104821
6-[5-ethyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 141473843
N-(cyclopropylmethyl)-2-[methyl-[2-(4-phenoxyphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 149543692

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine (CID 11501025) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3nnc(C)o3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
The InChIKey is ZCEDHPVVZXRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-21-22-16(25-11)14-10-15(20-17(19-14)24-3)18-9-8-12-4-6-13(23-2)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine has a molecular weight of 341.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 11501025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).