6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine

C15H19IN4O — CID 103348426

IUPAC6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(OC)n2)nc(CC)c1I
InChIInChI=1S/C15H19IN4O/c1-4-9-17-15-13(16)10(5-2)19-14(20-15)11-7-6-8-12(18-11)21-3/h6-8H,4-5,9H2,1-3H3,(H,17,19,20)
InChIKeyBADXHLWSLOQFEK-UHFFFAOYSA-N
MW398.25 g/mol
LogP3.54
Rot. Bonds6

About 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine

6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine (PubChem CID 103348426) has the molecular formula C15H19IN4O and a molecular weight of 398.25 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
PubChem CID103348426
Molecular FormulaC15H19IN4O
Molecular Weight398.25 g/mol
Exact Mass398.06
IUPAC Name6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(OC)n2)nc(CC)c1I
InChIInChI=1S/C15H19IN4O/c1-4-9-17-15-13(16)10(5-2)19-14(20-15)11-7-6-8-12(18-11)21-3/h6-8H,4-5,9H2,1-3H3,(H,17,19,20)
InChIKeyBADXHLWSLOQFEK-UHFFFAOYSA-N
XLogP3.54
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
CID 103375031
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
CID 103348437
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136831511
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 115528491
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol
CID 66297783
5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 103348431
5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66301614

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine (CID 103348426) is 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc(OC)n2)nc(CC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine?
The InChIKey is BADXHLWSLOQFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4O/c1-4-9-17-15-13(16)10(5-2)19-14(20-15)11-7-6-8-12(18-11)21-3/h6-8H,4-5,9H2,1-3H3,(H,17,19,20).
What are the key properties of 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine?
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine has a molecular weight of 398.25 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103348426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).