4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine

C17H16N4O3 — CID 5310680

IUPAC4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine
SMILESCOc1cc(C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C17H16N4O3/c1-12-10-16(22-2)19-17(18-12)24-15-9-8-14(20-21-15)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyKVZQTTLVESYLNQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.95
Rot. Bonds6

About 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine

4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine (PubChem CID 5310680) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine
PubChem CID5310680
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine
SMILESCOc1cc(C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C17H16N4O3/c1-12-10-16(22-2)19-17(18-12)24-15-9-8-14(20-21-15)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyKVZQTTLVESYLNQ-UHFFFAOYSA-N
XLogP2.95
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine (CID 5310680) is 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine is COc1cc(C)nc(Oc2ccc(OCc3ccccc3)nn2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine?
The InChIKey is KVZQTTLVESYLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12-10-16(22-2)19-17(18-12)24-15-9-8-14(20-21-15)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine?
4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine has a molecular weight of 324.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-(6-phenylmethoxypyridazin-3-yl)oxypyrimidine is sourced from PubChem (CID 5310680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).