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

C13H15IN4 — CID 80763667

IUPAC4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cccc(I)c2)ncn1
InChIInChI=1S/C13H15IN4/c1-2-6-15-12-8-13(17-9-16-12)18-11-5-3-4-10(14)7-11/h3-5,7-9H,2,6H2,1H3,(H2,15,16,17,18)
InChIKeyUXTPNSSJXXQMSB-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.65
Rot. Bonds5

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

4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80763667) has the molecular formula C13H15IN4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80763667
Molecular FormulaC13H15IN4
Molecular Weight354.20 g/mol
Exact Mass354.03
IUPAC Name4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cccc(I)c2)ncn1
InChIInChI=1S/C13H15IN4/c1-2-6-15-12-8-13(17-9-16-12)18-11-5-3-4-10(14)7-11/h3-5,7-9H,2,6H2,1H3,(H2,15,16,17,18)
InChIKeyUXTPNSSJXXQMSB-UHFFFAOYSA-N
XLogP3.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.65
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

4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80762837
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
CID 80763596
4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80762786
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
CID 53259803
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
3-[[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112857543

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80763667) is 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cccc(I)c2)ncn1.
What is the InChIKey of 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UXTPNSSJXXQMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4/c1-2-6-15-12-8-13(17-9-16-12)18-11-5-3-4-10(14)7-11/h3-5,7-9H,2,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 354.20 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).