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

C15H19IN4 — CID 80976900

IUPAC4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(Nc2ccccc2I)n1
InChIInChI=1S/C15H19IN4/c1-4-7-13-19-14(17-3)10(2)15(20-13)18-12-9-6-5-8-11(12)16/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyPKFNIXGOFKJSLJ-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.13
Rot. Bonds5

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

4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80976900) has the molecular formula C15H19IN4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80976900
Molecular FormulaC15H19IN4
Molecular Weight382.25 g/mol
Exact Mass382.07
IUPAC Name4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(Nc2ccccc2I)n1
InChIInChI=1S/C15H19IN4/c1-4-7-13-19-14(17-3)10(2)15(20-13)18-12-9-6-5-8-11(12)16/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyPKFNIXGOFKJSLJ-UHFFFAOYSA-N
XLogP4.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.13
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-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973608
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
CID 81007542
4-N-(2,4-dimethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977022
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982111
2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80977184
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (CID 80976900) is 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(Nc2ccccc2I)n1.
What is the InChIKey of 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is PKFNIXGOFKJSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4/c1-4-7-13-19-14(17-3)10(2)15(20-13)18-12-9-6-5-8-11(12)16/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 382.25 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).