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

C16H21IN4 — CID 107504354

IUPAC2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)nc(C)c2)nc(CC)c1I
InChIInChI=1S/C16H21IN4/c1-5-7-18-16-14(17)13(6-2)20-15(21-16)12-8-10(3)19-11(4)9-12/h8-9H,5-7H2,1-4H3,(H,18,20,21)
InChIKeyGUIRHUBXQRRPEQ-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.14
Rot. Bonds5

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

2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 107504354) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID107504354
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)nc(C)c2)nc(CC)c1I
InChIInChI=1S/C16H21IN4/c1-5-7-18-16-14(17)13(6-2)20-15(21-16)12-8-10(3)19-11(4)9-12/h8-9H,5-7H2,1-4H3,(H,18,20,21)
InChIKeyGUIRHUBXQRRPEQ-UHFFFAOYSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
CID 103375031
6-ethyl-5-methyl-2-(4-methylphenyl)-N-propylpyrimidin-4-amine
CID 63561195
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 107504354) is 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(C)nc(C)c2)nc(CC)c1I.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is GUIRHUBXQRRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-5-7-18-16-14(17)13(6-2)20-15(21-16)12-8-10(3)19-11(4)9-12/h8-9H,5-7H2,1-4H3,(H,18,20,21).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107504354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).