4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine

C16H15N5O — CID 155404797

IUPAC4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine
SMILESCOc1nc(N)ncc1-c1ccc(-c2nnccc2C)cc1
InChIInChI=1S/C16H15N5O/c1-10-7-8-19-21-14(10)12-5-3-11(4-6-12)13-9-18-16(17)20-15(13)22-2/h3-9H,1-2H3,(H2,17,18,20)
InChIKeyILJWALHZRMDPRW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.50
Rot. Bonds3

About 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine

4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine (PubChem CID 155404797) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine
PubChem CID155404797
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine
SMILESCOc1nc(N)ncc1-c1ccc(-c2nnccc2C)cc1
InChIInChI=1S/C16H15N5O/c1-10-7-8-19-21-14(10)12-5-3-11(4-6-12)13-9-18-16(17)20-15(13)22-2/h3-9H,1-2H3,(H2,17,18,20)
InChIKeyILJWALHZRMDPRW-UHFFFAOYSA-N
XLogP2.50
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine (CID 155404797) is 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine is COc1nc(N)ncc1-c1ccc(-c2nnccc2C)cc1.
What is the InChIKey of 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine?
The InChIKey is ILJWALHZRMDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-7-8-19-21-14(10)12-5-3-11(4-6-12)13-9-18-16(17)20-15(13)22-2/h3-9H,1-2H3,(H2,17,18,20).
What are the key properties of 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine?
4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[4-(4-methylpyridazin-3-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 155404797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).