N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide

C18H24IN5O3 — CID 25002300

IUPACN-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide
SMILESCOc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C)nc2N)cc1I
InChIInChI=1S/C18H24IN5O3/c1-10(2)11-6-14(26-5)12(19)7-13(11)27-15-8-21-18(23-17(15)20)22-16(25)9-24(3)4/h6-8,10H,9H2,1-5H3,(H3,20,21,22,23,25)
InChIKeyFESUBWOUMRDQKW-UHFFFAOYSA-N
MW485.33 g/mol
LogP3.09
Rot. Bonds7

About N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide

N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide (PubChem CID 25002300) has the molecular formula C18H24IN5O3 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide
PubChem CID25002300
Molecular FormulaC18H24IN5O3
Molecular Weight485.33 g/mol
Exact Mass485.09
IUPAC NameN-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide
SMILESCOc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C)nc2N)cc1I
InChIInChI=1S/C18H24IN5O3/c1-10(2)11-6-14(26-5)12(19)7-13(11)27-15-8-21-18(23-17(15)20)22-16(25)9-24(3)4/h6-8,10H,9H2,1-5H3,(H3,20,21,22,23,25)
InChIKeyFESUBWOUMRDQKW-UHFFFAOYSA-N
XLogP3.09
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide (CID 25002300) is N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide is COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C)nc2N)cc1I.
What is the InChIKey of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide?
The InChIKey is FESUBWOUMRDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN5O3/c1-10(2)11-6-14(26-5)12(19)7-13(11)27-15-8-21-18(23-17(15)20)22-16(25)9-24(3)4/h6-8,10H,9H2,1-5H3,(H3,20,21,22,23,25).
What are the key properties of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide?
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide has a molecular weight of 485.33 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 25002300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).