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

C17H19N5O — CID 50969409

IUPAC2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(C)cc(NCc2ccc(-c3noc(C)n3)cc2)n1
InChIInChI=1S/C17H19N5O/c1-4-15-19-11(2)9-16(21-15)18-10-13-5-7-14(8-6-13)17-20-12(3)23-22-17/h5-9H,4,10H2,1-3H3,(H,18,19,21)
InChIKeyYMOPLPQJKKMXLT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.32
Rot. Bonds5

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

2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 50969409) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID50969409
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(C)cc(NCc2ccc(-c3noc(C)n3)cc2)n1
InChIInChI=1S/C17H19N5O/c1-4-15-19-11(2)9-16(21-15)18-10-13-5-7-14(8-6-13)17-20-12(3)23-22-17/h5-9H,4,10H2,1-3H3,(H,18,19,21)
InChIKeyYMOPLPQJKKMXLT-UHFFFAOYSA-N
XLogP3.32
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
CID 72891572
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91780894
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
CID 114276507
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
2-ethyl-6-N-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80934553
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342168
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine (CID 50969409) is 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine is CCc1nc(C)cc(NCc2ccc(-c3noc(C)n3)cc2)n1.
What is the InChIKey of 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is YMOPLPQJKKMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-15-19-11(2)9-16(21-15)18-10-13-5-7-14(8-6-13)17-20-12(3)23-22-17/h5-9H,4,10H2,1-3H3,(H,18,19,21).
What are the key properties of 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 50969409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).