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

C17H19N5O — CID 50957117

IUPAC6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2noc(C(C)C)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H19N5O/c1-11(2)17-21-15(22-23-17)10-18-14-9-12(3)19-16(20-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,18,19,20)
InChIKeyGLDVZPBYKBJVFA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.57
Rot. Bonds5

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

6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 50957117) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID50957117
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2noc(C(C)C)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H19N5O/c1-11(2)17-21-15(22-23-17)10-18-14-9-12(3)19-16(20-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,18,19,20)
InChIKeyGLDVZPBYKBJVFA-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 50957117) is 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is Cc1cc(NCc2noc(C(C)C)n2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is GLDVZPBYKBJVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(2)17-21-15(22-23-17)10-18-14-9-12(3)19-16(20-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
6-methyl-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-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-2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50957117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).