6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine

C14H15ClIN3 — CID 80973608

IUPAC6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2ccccc2I)n1
InChIInChI=1S/C14H15ClIN3/c1-3-6-12-18-13(15)9(2)14(19-12)17-11-8-5-4-7-10(11)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVFZUEIZEPYPBOY-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.74
Rot. Bonds4

About 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80973608) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80973608
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2ccccc2I)n1
InChIInChI=1S/C14H15ClIN3/c1-3-6-12-18-13(15)9(2)14(19-12)17-11-8-5-4-7-10(11)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVFZUEIZEPYPBOY-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
CID 81007542
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
6-chloro-2-ethyl-N-(3-fluoro-2-iodophenyl)-5-methylpyrimidin-4-amine
CID 114260994
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80973323
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80973608) is 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(Nc2ccccc2I)n1.
What is the InChIKey of 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is VFZUEIZEPYPBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-3-6-12-18-13(15)9(2)14(19-12)17-11-8-5-4-7-10(11)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80973608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).