6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine

C15H19IN4 — CID 80763596

IUPAC6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1cccc(I)c1
InChIInChI=1S/C15H19IN4/c1-3-6-13-14(17-4-2)18-10-19-15(13)20-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyUMKBGHLQEKZONT-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.21
Rot. Bonds6

About 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80763596) has the molecular formula C15H19IN4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80763596
Molecular FormulaC15H19IN4
Molecular Weight382.25 g/mol
Exact Mass382.07
IUPAC Name6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1cccc(I)c1
InChIInChI=1S/C15H19IN4/c1-3-6-13-14(17-4-2)18-10-19-15(13)20-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyUMKBGHLQEKZONT-UHFFFAOYSA-N
XLogP4.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282
4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80829581
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80763667
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine (CID 80763596) is 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1Nc1cccc(I)c1.
What is the InChIKey of 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is UMKBGHLQEKZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4/c1-3-6-13-14(17-4-2)18-10-19-15(13)20-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 382.25 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).