N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

C19H18N6O3 — CID 6539388

IUPACN-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1
InChIInChI=1S/C19H18N6O3/c1-26-13-8-12(9-14(10-13)27-2)22-19-20-7-6-16(23-19)15-11-21-25-17(15)4-5-18(24-25)28-3/h4-11H,1-3H3,(H,20,22,23)
InChIKeyMRFMXCDMVCFHFP-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.96
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539388) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539388
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1
InChIInChI=1S/C19H18N6O3/c1-26-13-8-12(9-14(10-13)27-2)22-19-20-7-6-16(23-19)15-11-21-25-17(15)4-5-18(24-25)28-3/h4-11H,1-3H3,(H,20,22,23)
InChIKeyMRFMXCDMVCFHFP-UHFFFAOYSA-N
XLogP2.96
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine with MolForge

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 27
CID 6539369
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 62
CID 6539404
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539388) is N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is MRFMXCDMVCFHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-26-13-8-12(9-14(10-13)27-2)22-19-20-7-6-16(23-19)15-11-21-25-17(15)4-5-18(24-25)28-3/h4-11H,1-3H3,(H,20,22,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 378.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).