2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine

C15H18IN3 — CID 66297059

IUPAC2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)ccc2C)ncc1I
InChIInChI=1S/C15H18IN3/c1-4-7-17-15-13(16)9-18-14(19-15)12-8-10(2)5-6-11(12)3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyCMZXQVCPODAVEW-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.19
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine

2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66297059) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66297059
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC Name2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)ccc2C)ncc1I
InChIInChI=1S/C15H18IN3/c1-4-7-17-15-13(16)9-18-14(19-15)12-8-10(2)5-6-11(12)3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyCMZXQVCPODAVEW-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine (CID 66297059) is 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(C)ccc2C)ncc1I.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is CMZXQVCPODAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-4-7-17-15-13(16)9-18-14(19-15)12-8-10(2)5-6-11(12)3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 367.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).