5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine

C14H16IN3O — CID 66296662

IUPAC5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1cccc(-c2ncc(I)c(NC)n2)c1
InChIInChI=1S/C14H16IN3O/c1-3-7-19-11-6-4-5-10(8-11)13-17-9-12(15)14(16-2)18-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyOFXMZOALEAXREI-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.58
Rot. Bonds5

About 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine

5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine (PubChem CID 66296662) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
PubChem CID66296662
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1cccc(-c2ncc(I)c(NC)n2)c1
InChIInChI=1S/C14H16IN3O/c1-3-7-19-11-6-4-5-10(8-11)13-17-9-12(15)14(16-2)18-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyOFXMZOALEAXREI-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193532
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295324
N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 62499474
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823417
ethyl 3-(3-propoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381918
3-methyl-5-(3-propoxyphenyl)pyridine
CID 143608383
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine (CID 66296662) is 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine is CCCOc1cccc(-c2ncc(I)c(NC)n2)c1.
What is the InChIKey of 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is OFXMZOALEAXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-3-7-19-11-6-4-5-10(8-11)13-17-9-12(15)14(16-2)18-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66296662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).