2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine

C13H13ClIN3 — CID 66298678

IUPAC2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(Cl)c2)nc(N)c1I
InChIInChI=1S/C13H13ClIN3/c1-2-10-12(15)13(16)18-11(17-10)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3,(H2,16,17,18)
InChIKeyMGINDPRCCPFTEJ-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.47
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine

2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66298678) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
PubChem CID66298678
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(Cl)c2)nc(N)c1I
InChIInChI=1S/C13H13ClIN3/c1-2-10-12(15)13(16)18-11(17-10)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3,(H2,16,17,18)
InChIKeyMGINDPRCCPFTEJ-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 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 ≤ 53.47
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

6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66306766
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740703
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62192630
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine (CID 66298678) is 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine is CCc1nc(Cc2cccc(Cl)c2)nc(N)c1I.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is MGINDPRCCPFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c1-2-10-12(15)13(16)18-11(17-10)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine?
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 373.63 g/mol, XLogP of 3.47, 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]-6-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66298678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).