N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine

C19H18IN3O2 — CID 118930351

IUPACN-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine
SMILESCOc1cc(I)cc(Nc2ncc(C)c(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C19H18IN3O2/c1-12-11-21-19(22-15-8-14(20)9-17(10-15)25-3)23-18(12)13-5-4-6-16(7-13)24-2/h4-11H,1-3H3,(H,21,22,23)
InChIKeyLQQVWXAIFGBQBC-UHFFFAOYSA-N
MW447.28 g/mol
LogP4.82
Rot. Bonds5

About N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine

N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine (PubChem CID 118930351) has the molecular formula C19H18IN3O2 and a molecular weight of 447.28 g/mol. Its IUPAC name is N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine
PubChem CID118930351
Molecular FormulaC19H18IN3O2
Molecular Weight447.28 g/mol
Exact Mass447.04
IUPAC NameN-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine
SMILESCOc1cc(I)cc(Nc2ncc(C)c(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C19H18IN3O2/c1-12-11-21-19(22-15-8-14(20)9-17(10-15)25-3)23-18(12)13-5-4-6-16(7-13)24-2/h4-11H,1-3H3,(H,21,22,23)
InChIKeyLQQVWXAIFGBQBC-UHFFFAOYSA-N
XLogP4.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine (CID 118930351) is N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine is COc1cc(I)cc(Nc2ncc(C)c(-c3cccc(OC)c3)n2)c1.
What is the InChIKey of N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine?
The InChIKey is LQQVWXAIFGBQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O2/c1-12-11-21-19(22-15-8-14(20)9-17(10-15)25-3)23-18(12)13-5-4-6-16(7-13)24-2/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine?
N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine has a molecular weight of 447.28 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 118930351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).