5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine

C13H18IN5 — CID 66296296

IUPAC5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cncn2C(C)C)ncc1I
InChIInChI=1S/C13H18IN5/c1-4-5-16-12-10(14)6-17-13(18-12)11-7-15-8-19(11)9(2)3/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeySHHBYXBNJJUBOW-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.35
Rot. Bonds5

About 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine

5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 66296296) has the molecular formula C13H18IN5 and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
PubChem CID66296296
Molecular FormulaC13H18IN5
Molecular Weight371.23 g/mol
Exact Mass371.06
IUPAC Name5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cncn2C(C)C)ncc1I
InChIInChI=1S/C13H18IN5/c1-4-5-16-12-10(14)6-17-13(18-12)11-7-15-8-19(11)9(2)3/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeySHHBYXBNJJUBOW-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine
CID 112559382
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66164544
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66304442
2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine
CID 66296298
N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
CID 112559312
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66423303

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine (CID 66296296) is 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cncn2C(C)C)ncc1I.
What is the InChIKey of 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is SHHBYXBNJJUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5/c1-4-5-16-12-10(14)6-17-13(18-12)11-7-15-8-19(11)9(2)3/h6-9H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 371.23 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66296296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).