6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine

C14H18IN5O — CID 103375031

IUPAC6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(OC)nn2)nc(CC)c1I
InChIInChI=1S/C14H18IN5O/c1-4-8-16-14-12(15)9(5-2)17-13(18-14)10-6-7-11(21-3)20-19-10/h6-7H,4-5,8H2,1-3H3,(H,16,17,18)
InChIKeyPRSTXWBMCOPLNG-UHFFFAOYSA-N
MW399.24 g/mol
LogP2.93
Rot. Bonds6

About 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine

6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 103375031) has the molecular formula C14H18IN5O and a molecular weight of 399.24 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
PubChem CID103375031
Molecular FormulaC14H18IN5O
Molecular Weight399.24 g/mol
Exact Mass399.06
IUPAC Name6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(OC)nn2)nc(CC)c1I
InChIInChI=1S/C14H18IN5O/c1-4-8-16-14-12(15)9(5-2)17-13(18-14)10-6-7-11(21-3)20-19-10/h6-7H,4-5,8H2,1-3H3,(H,16,17,18)
InChIKeyPRSTXWBMCOPLNG-UHFFFAOYSA-N
XLogP2.93
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
6-ethyl-2-(6-methoxypyridazin-3-yl)-N,5-dimethylpyrimidin-4-amine
CID 103375001
2-(6-methoxypyridazin-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103374966
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790340
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
6-ethyl-2-(6-methoxypyridazin-3-yl)-5-methylpyrimidin-4-amine
CID 103375000
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine (CID 103375031) is 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(OC)nn2)nc(CC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is PRSTXWBMCOPLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN5O/c1-4-8-16-14-12(15)9(5-2)17-13(18-14)10-6-7-11(21-3)20-19-10/h6-7H,4-5,8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine?
6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 399.24 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103375031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).