2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

C15H20IN5 — CID 66296221

IUPAC2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C2CC2)nc(C(C)C)c1I
InChIInChI=1S/C15H20IN5/c1-4-18-15-12(16)13(9(2)3)19-14(20-15)11-7-17-8-21(11)10-5-6-10/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyVZUBSELYIMVKQH-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.83
Rot. Bonds5

About 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66296221) has the molecular formula C15H20IN5 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66296221
Molecular FormulaC15H20IN5
Molecular Weight397.26 g/mol
Exact Mass397.08
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C2CC2)nc(C(C)C)c1I
InChIInChI=1S/C15H20IN5/c1-4-18-15-12(16)13(9(2)3)19-14(20-15)11-7-17-8-21(11)10-5-6-10/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyVZUBSELYIMVKQH-UHFFFAOYSA-N
XLogP3.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66296221) is 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2cncn2C2CC2)nc(C(C)C)c1I.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VZUBSELYIMVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN5/c1-4-18-15-12(16)13(9(2)3)19-14(20-15)11-7-17-8-21(11)10-5-6-10/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).