2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine

C13H13ClIN3 — CID 66305909

IUPAC2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(Cl)c2)nc(C)c1I
InChIInChI=1S/C13H13ClIN3/c1-8-12(15)13(16-2)18-11(17-8)7-9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyGAWJDJJBPLPECD-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.68
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine

2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66305909) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66305909
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(Cl)c2)nc(C)c1I
InChIInChI=1S/C13H13ClIN3/c1-8-12(15)13(16-2)18-11(17-8)7-9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyGAWJDJJBPLPECD-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.68
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

2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302364
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307698
2-[(3-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299752
5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66306895
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
5-iodo-N,6-dimethyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66306900
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66305909) is 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(Cc2cccc(Cl)c2)nc(C)c1I.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is GAWJDJJBPLPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c1-8-12(15)13(16-2)18-11(17-8)7-9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 373.63 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66305909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).