5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine

C16H20IN3 — CID 66306718

IUPAC5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccc(C)cc2)nc(C)c1I
InChIInChI=1S/C16H20IN3/c1-4-9-18-16-15(17)12(3)19-14(20-16)10-13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyJEIOBORHRHPHJB-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.11
Rot. Bonds5

About 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine

5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 66306718) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
PubChem CID66306718
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccc(C)cc2)nc(C)c1I
InChIInChI=1S/C16H20IN3/c1-4-9-18-16-15(17)12(3)19-14(20-16)10-13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyJEIOBORHRHPHJB-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.11
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

5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66305130
2-[(4-methylphenyl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63485746
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
5-iodo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66306920
2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305726
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
[5-ethyl-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 55061478
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine (CID 66306718) is 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2ccc(C)cc2)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is JEIOBORHRHPHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-4-9-18-16-15(17)12(3)19-14(20-16)10-13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine?
5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66306718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).