5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine

C16H20IN3O — CID 66301614

IUPAC5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2C)nc(COC)c1I
InChIInChI=1S/C16H20IN3O/c1-4-9-18-16-14(17)13(10-21-3)19-15(20-16)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyMHSIKJCTBNKEOZ-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.02
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 66301614) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID66301614
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC Name5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2C)nc(COC)c1I
InChIInChI=1S/C16H20IN3O/c1-4-9-18-16-14(17)13(10-21-3)19-15(20-16)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyMHSIKJCTBNKEOZ-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine (CID 66301614) is 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2C)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is MHSIKJCTBNKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-4-9-18-16-14(17)13(10-21-3)19-15(20-16)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66301614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).