N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine

C16H17N5O2 — CID 50972777

IUPACN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOCc1nc(CNc2cc(C)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C16H17N5O2/c1-11-8-13(17-9-14-19-15(10-22-2)23-21-14)20-16(18-11)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,17,18,20)
InChIKeyDWJRHULFOVKMMP-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.59
Rot. Bonds6

About N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 50972777) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID50972777
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOCc1nc(CNc2cc(C)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C16H17N5O2/c1-11-8-13(17-9-14-19-15(10-22-2)23-21-14)20-16(18-11)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,17,18,20)
InChIKeyDWJRHULFOVKMMP-UHFFFAOYSA-N
XLogP2.59
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine (CID 50972777) is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine is COCc1nc(CNc2cc(C)nc(-c3ccccc3)n2)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is DWJRHULFOVKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-8-13(17-9-14-19-15(10-22-2)23-21-14)20-16(18-11)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine?
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 311.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 50972777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).