5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine

C14H16IN3O — CID 66296695

IUPAC5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc(C)c(I)c(N)n2)c1
InChIInChI=1S/C14H16IN3O/c1-3-7-19-11-6-4-5-10(8-11)14-17-9(2)12(15)13(16)18-14/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18)
InChIKeyHGEAVDOTNRPRIA-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.43
Rot. Bonds4

About 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine

5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine (PubChem CID 66296695) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
PubChem CID66296695
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc(C)c(I)c(N)n2)c1
InChIInChI=1S/C14H16IN3O/c1-3-7-19-11-6-4-5-10(8-11)14-17-9(2)12(15)13(16)18-14/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18)
InChIKeyHGEAVDOTNRPRIA-UHFFFAOYSA-N
XLogP3.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.43
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-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105171
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
CID 82478568
N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 62499474
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine
CID 62498658
2-(3-fluoro-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306892
ethyl 3-(3-propoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381918

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine (CID 66296695) is 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine is CCCOc1cccc(-c2nc(C)c(I)c(N)n2)c1.
What is the InChIKey of 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is HGEAVDOTNRPRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-3-7-19-11-6-4-5-10(8-11)14-17-9(2)12(15)13(16)18-14/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66296695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).