6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine

C14H16IN3O — CID 80881036

IUPAC6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2cccc(I)c2)nc(C)n1
InChIInChI=1S/C14H16IN3O/c1-3-7-16-13-9-14(18-10(2)17-13)19-12-6-4-5-11(15)8-12/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyNIABWFSKFNXQFU-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.00
Rot. Bonds5

About 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine

6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80881036) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80881036
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2cccc(I)c2)nc(C)n1
InChIInChI=1S/C14H16IN3O/c1-3-7-16-13-9-14(18-10(2)17-13)19-12-6-4-5-11(15)8-12/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyNIABWFSKFNXQFU-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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

6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
CID 80859945

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine (CID 80881036) is 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2cccc(I)c2)nc(C)n1.
What is the InChIKey of 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is NIABWFSKFNXQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-3-7-16-13-9-14(18-10(2)17-13)19-12-6-4-5-11(15)8-12/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80881036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).