4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H19IN4 — CID 80976810

IUPAC4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(Nc2ccc(I)cc2)c1C
InChIInChI=1S/C15H19IN4/c1-9(2)13-19-14(17-4)10(3)15(20-13)18-12-7-5-11(16)6-8-12/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyDUBHGUHJZAWGDD-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.30
Rot. Bonds4

About 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80976810) has the molecular formula C15H19IN4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80976810
Molecular FormulaC15H19IN4
Molecular Weight382.25 g/mol
Exact Mass382.07
IUPAC Name4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(Nc2ccc(I)cc2)c1C
InChIInChI=1S/C15H19IN4/c1-9(2)13-19-14(17-4)10(3)15(20-13)18-12-7-5-11(16)6-8-12/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyDUBHGUHJZAWGDD-UHFFFAOYSA-N
XLogP4.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
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 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80976810) is 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(Nc2ccc(I)cc2)c1C.
What is the InChIKey of 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DUBHGUHJZAWGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4/c1-9(2)13-19-14(17-4)10(3)15(20-13)18-12-7-5-11(16)6-8-12/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 382.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).