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

C10H14N6O2 — CID 72927896

IUPAC4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCc1noc(CNc2cc(C)nc(N)n2)n1
InChIInChI=1S/C10H14N6O2/c1-6-3-7(15-10(11)13-6)12-4-9-14-8(5-17-2)16-18-9/h3H,4-5H2,1-2H3,(H3,11,12,13,15)
InChIKeyIYNZYTWEFXXASM-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.51
Rot. Bonds5

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

4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 72927896) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID72927896
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCc1noc(CNc2cc(C)nc(N)n2)n1
InChIInChI=1S/C10H14N6O2/c1-6-3-7(15-10(11)13-6)12-4-9-14-8(5-17-2)16-18-9/h3H,4-5H2,1-2H3,(H3,11,12,13,15)
InChIKeyIYNZYTWEFXXASM-UHFFFAOYSA-N
XLogP0.51
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine (CID 72927896) is 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine is COCc1noc(CNc2cc(C)nc(N)n2)n1.
What is the InChIKey of 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is IYNZYTWEFXXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6-3-7(15-10(11)13-6)12-4-9-14-8(5-17-2)16-18-9/h3H,4-5H2,1-2H3,(H3,11,12,13,15).
What are the key properties of 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 250.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72927896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).