5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine

C13H13ClIN3O — CID 80881200

IUPAC5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2cccc(I)c2)n1
InChIInChI=1S/C13H13ClIN3O/c1-2-6-16-13-17-8-11(14)12(18-13)19-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyABRDGOCMWSCYCW-UHFFFAOYSA-N
MW389.62 g/mol
LogP4.35
Rot. Bonds5

About 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine

5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80881200) has the molecular formula C13H13ClIN3O and a molecular weight of 389.62 g/mol. Its IUPAC name is 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80881200
Molecular FormulaC13H13ClIN3O
Molecular Weight389.62 g/mol
Exact Mass388.98
IUPAC Name5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2cccc(I)c2)n1
InChIInChI=1S/C13H13ClIN3O/c1-2-6-16-13-17-8-11(14)12(18-13)19-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyABRDGOCMWSCYCW-UHFFFAOYSA-N
XLogP4.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.35
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

5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
CID 80846532
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine (CID 80881200) is 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Oc2cccc(I)c2)n1.
What is the InChIKey of 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is ABRDGOCMWSCYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3O/c1-2-6-16-13-17-8-11(14)12(18-13)19-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 389.62 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80881200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).