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

C16H17N5O2 — CID 72891572

IUPAC6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(-c3noc(C)n3)cc2)ncn1
InChIInChI=1S/C16H17N5O2/c1-11-20-16(21-23-11)13-5-3-12(4-6-13)8-17-15-7-14(9-22-2)18-10-19-15/h3-7,10H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDOIVAIZYMCCHHM-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.59
Rot. Bonds6

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

6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 72891572) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID72891572
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(-c3noc(C)n3)cc2)ncn1
InChIInChI=1S/C16H17N5O2/c1-11-20-16(21-23-11)13-5-3-12(4-6-13)8-17-15-7-14(9-22-2)18-10-19-15/h3-7,10H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDOIVAIZYMCCHHM-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 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine (CID 72891572) is 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine is COCc1cc(NCc2ccc(-c3noc(C)n3)cc2)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is DOIVAIZYMCCHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-20-16(21-23-11)13-5-3-12(4-6-13)8-17-15-7-14(9-22-2)18-10-19-15/h3-7,10H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-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 6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 72891572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).