N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine

C13H17N5O — CID 103375185

IUPACN-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccc(OC)nn2)nc1
InChIInChI=1S/C13H17N5O/c1-3-6-14-7-10-8-15-13(16-9-10)11-4-5-12(19-2)18-17-11/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyHFFFKOYHBWMIND-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.44
Rot. Bonds6

About N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 103375185) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID103375185
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccc(OC)nn2)nc1
InChIInChI=1S/C13H17N5O/c1-3-6-14-7-10-8-15-13(16-9-10)11-4-5-12(19-2)18-17-11/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyHFFFKOYHBWMIND-UHFFFAOYSA-N
XLogP1.44
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103399703
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
N-[[4-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103375135
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
N-[[2-(2-methylpropyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756597
N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275313
5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375046

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 103375185) is N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-c2ccc(OC)nn2)nc1.
What is the InChIKey of N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is HFFFKOYHBWMIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-6-14-7-10-8-15-13(16-9-10)11-4-5-12(19-2)18-17-11/h4-5,8-9,14H,3,6-7H2,1-2H3.
What are the key properties of N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103375185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).