2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C13H13N7O — CID 106715684

IUPAC2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)cc(-c3cnn(C)c3)n2)nn1
InChIInChI=1S/C13H13N7O/c1-20-7-8(6-15-20)10-5-11(14)17-13(16-10)9-3-4-12(21-2)19-18-9/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyKFMVTIUODZNBBG-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.92
Rot. Bonds3

About 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715684) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715684
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)cc(-c3cnn(C)c3)n2)nn1
InChIInChI=1S/C13H13N7O/c1-20-7-8(6-15-20)10-5-11(14)17-13(16-10)9-3-4-12(21-2)19-18-9/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyKFMVTIUODZNBBG-UHFFFAOYSA-N
XLogP0.92
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
[6-(1-methylpyrazol-4-yl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 106716230
[2-(1-methylpyrazol-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716205

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715684) is 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is COc1ccc(-c2nc(N)cc(-c3cnn(C)c3)n2)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is KFMVTIUODZNBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-20-7-8(6-15-20)10-5-11(14)17-13(16-10)9-3-4-12(21-2)19-18-9/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 283.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).