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

C16H21IN4 — CID 107504360

IUPAC2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)nc(C)c2)nc(C(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-6-18-16-13(17)14(9(2)3)20-15(21-16)12-7-10(4)19-11(5)8-12/h7-9H,6H2,1-5H3,(H,18,20,21)
InChIKeyPUOCZOAVPUICHP-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.32
Rot. Bonds4

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

2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 107504360) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID107504360
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)nc(C)c2)nc(C(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-6-18-16-13(17)14(9(2)3)20-15(21-16)12-7-10(4)19-11(5)8-12/h7-9H,6H2,1-5H3,(H,18,20,21)
InChIKeyPUOCZOAVPUICHP-UHFFFAOYSA-N
XLogP4.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-5-iodo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297954
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66300343
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66297952
2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66296221
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79089362
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 107504360) is 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2cc(C)nc(C)c2)nc(C(C)C)c1I.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is PUOCZOAVPUICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-6-18-16-13(17)14(9(2)3)20-15(21-16)12-7-10(4)19-11(5)8-12/h7-9H,6H2,1-5H3,(H,18,20,21).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 4.32, 4 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)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107504360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).