5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C17H22IN3 — CID 66295569

IUPAC5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCCc1nc(-c2c(C)cc(C)cc2C)nc(NC)c1I
InChIInChI=1S/C17H22IN3/c1-6-7-13-15(18)17(19-5)21-16(20-13)14-11(3)8-10(2)9-12(14)4/h8-9H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyKBPLSBQEBFYPRA-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.67
Rot. Bonds4

About 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 66295569) has the molecular formula C17H22IN3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID66295569
Molecular FormulaC17H22IN3
Molecular Weight395.29 g/mol
Exact Mass395.09
IUPAC Name5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCCc1nc(-c2c(C)cc(C)cc2C)nc(NC)c1I
InChIInChI=1S/C17H22IN3/c1-6-7-13-15(18)17(19-5)21-16(20-13)14-11(3)8-10(2)9-12(14)4/h8-9H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyKBPLSBQEBFYPRA-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.67
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-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305388
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295603
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66000022

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 66295569) is 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCCc1nc(-c2c(C)cc(C)cc2C)nc(NC)c1I.
What is the InChIKey of 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is KBPLSBQEBFYPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3/c1-6-7-13-15(18)17(19-5)21-16(20-13)14-11(3)8-10(2)9-12(14)4/h8-9H,6-7H2,1-5H3,(H,19,20,21).
What are the key properties of 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 395.29 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66295569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).