2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine

C17H22IN3 — CID 66305388

IUPAC2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccc(C)c(C)c2)nc(NC)c1I
InChIInChI=1S/C17H22IN3/c1-5-6-14-16(18)17(19-4)21-15(20-14)10-13-8-7-11(2)12(3)9-13/h7-9H,5-6,10H2,1-4H3,(H,19,20,21)
InChIKeyNDGQTVZZFTWWLF-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.28
Rot. Bonds5

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

2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66305388) has the molecular formula C17H22IN3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66305388
Molecular FormulaC17H22IN3
Molecular Weight395.29 g/mol
Exact Mass395.09
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccc(C)c(C)c2)nc(NC)c1I
InChIInChI=1S/C17H22IN3/c1-5-6-14-16(18)17(19-4)21-15(20-14)10-13-8-7-11(2)12(3)9-13/h7-9H,5-6,10H2,1-4H3,(H,19,20,21)
InChIKeyNDGQTVZZFTWWLF-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.28
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-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395
5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295569
2-[(3,4-dimethylphenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63487302
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305990
[2-[(3,4-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 55131052
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66306381
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-(butan-2-ylsulfanylmethyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66306382

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine (CID 66305388) is 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccc(C)c(C)c2)nc(NC)c1I.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is NDGQTVZZFTWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3/c1-5-6-14-16(18)17(19-4)21-15(20-14)10-13-8-7-11(2)12(3)9-13/h7-9H,5-6,10H2,1-4H3,(H,19,20,21).
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 395.29 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).