2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine

C16H21IN4 — CID 66296199

IUPAC2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(N(C)C)cc2)nc(CC)c1I
InChIInChI=1S/C16H21IN4/c1-5-13-14(17)16(18-6-2)20-15(19-13)11-7-9-12(10-8-11)21(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyCRMUKPOAFBPHET-UHFFFAOYSA-N
MW396.28 g/mol
LogP3.81
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine

2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine (PubChem CID 66296199) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
PubChem CID66296199
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC Name2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(N(C)C)cc2)nc(CC)c1I
InChIInChI=1S/C16H21IN4/c1-5-13-14(17)16(18-6-2)20-15(19-13)11-7-9-12(10-8-11)21(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyCRMUKPOAFBPHET-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine (CID 66296199) is 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2ccc(N(C)C)cc2)nc(CC)c1I.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
The InChIKey is CRMUKPOAFBPHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-5-13-14(17)16(18-6-2)20-15(19-13)11-7-9-12(10-8-11)21(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66296199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).