4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

C14H17IN4 — CID 80762837

IUPAC4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2cccc(I)c2)n1
InChIInChI=1S/C14H17IN4/c1-3-7-16-14-17-10(2)8-13(19-14)18-12-6-4-5-11(15)9-12/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyGRFOWSCLKZUYBD-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.96
Rot. Bonds5

About 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80762837) has the molecular formula C14H17IN4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80762837
Molecular FormulaC14H17IN4
Molecular Weight368.22 g/mol
Exact Mass368.05
IUPAC Name4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2cccc(I)c2)n1
InChIInChI=1S/C14H17IN4/c1-3-7-16-14-17-10(2)8-13(19-14)18-12-6-4-5-11(15)9-12/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyGRFOWSCLKZUYBD-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.96
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

6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
4-N-(4-bromo-3-fluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80842688
4-N-(3-iodophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80763667
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112907073
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112913671
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754196

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80762837) is 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(Nc2cccc(I)c2)n1.
What is the InChIKey of 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is GRFOWSCLKZUYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN4/c1-3-7-16-14-17-10(2)8-13(19-14)18-12-6-4-5-11(15)9-12/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 368.22 g/mol, XLogP of 3.96, 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-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80762837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).