6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine

C17H19N5O — CID 167847018

IUPAC6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc(-c3nnco3)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H19N5O/c1-11(2)16-20-12(3)8-15(21-16)18-9-13-4-6-14(7-5-13)17-22-19-10-23-17/h4-8,10-11H,9H2,1-3H3,(H,18,20,21)
InChIKeyDASLTHBZYJQKBO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.57
Rot. Bonds5

About 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 167847018) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID167847018
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc(-c3nnco3)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H19N5O/c1-11(2)16-20-12(3)8-15(21-16)18-9-13-4-6-14(7-5-13)17-22-19-10-23-17/h4-8,10-11H,9H2,1-3H3,(H,18,20,21)
InChIKeyDASLTHBZYJQKBO-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 141270566
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N-[(3-bromo-4-methylphenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115876885
4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
CID 28713238
4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70758658
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
4-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713347
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine (CID 167847018) is 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCc2ccc(-c3nnco3)cc2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DASLTHBZYJQKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(2)16-20-12(3)8-15(21-16)18-9-13-4-6-14(7-5-13)17-22-19-10-23-17/h4-8,10-11H,9H2,1-3H3,(H,18,20,21).
What are the key properties of 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 167847018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).