2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine

C12H10Cl2IN3 — CID 66307695

IUPAC2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(Cc2ccc(Cl)cc2Cl)nc(N)c1I
InChIInChI=1S/C12H10Cl2IN3/c1-6-11(15)12(16)18-10(17-6)4-7-2-3-8(13)5-9(7)14/h2-3,5H,4H2,1H3,(H2,16,17,18)
InChIKeyRDCBGKYUFJVARR-UHFFFAOYSA-N
MW394.04 g/mol
LogP3.87
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine

2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66307695) has the molecular formula C12H10Cl2IN3 and a molecular weight of 394.04 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66307695
Molecular FormulaC12H10Cl2IN3
Molecular Weight394.04 g/mol
Exact Mass392.93
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(Cc2ccc(Cl)cc2Cl)nc(N)c1I
InChIInChI=1S/C12H10Cl2IN3/c1-6-11(15)12(16)18-10(17-6)4-7-2-3-8(13)5-9(7)14/h2-3,5H,4H2,1H3,(H2,16,17,18)
InChIKeyRDCBGKYUFJVARR-UHFFFAOYSA-N
XLogP3.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.04
LogP ≤ 53.87
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-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 116647394
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
2-[(2,4-dichlorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740211
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303631
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63486136
6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66301756
4-amino-2-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxylic acid
CID 116640812
methyl 4-amino-2-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxylate
CID 116646746
2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307698
4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79398209

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine (CID 66307695) is 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine is Cc1nc(Cc2ccc(Cl)cc2Cl)nc(N)c1I.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is RDCBGKYUFJVARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2IN3/c1-6-11(15)12(16)18-10(17-6)4-7-2-3-8(13)5-9(7)14/h2-3,5H,4H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine?
2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 394.04 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66307695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).