6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine

C16H19IN4 — CID 82733246

IUPAC6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2CC)nc(C2CC2)c1I
InChIInChI=1S/C16H19IN4/c1-3-10-6-5-9-19-14(10)16-20-13(11-7-8-11)12(17)15(21-16)18-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,18,20,21)
InChIKeyNRYZDPICJCMHFN-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.01
Rot. Bonds5

About 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine (PubChem CID 82733246) has the molecular formula C16H19IN4 and a molecular weight of 394.26 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
PubChem CID82733246
Molecular FormulaC16H19IN4
Molecular Weight394.26 g/mol
Exact Mass394.07
IUPAC Name6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2CC)nc(C2CC2)c1I
InChIInChI=1S/C16H19IN4/c1-3-10-6-5-9-19-14(10)16-20-13(11-7-8-11)12(17)15(21-16)18-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,18,20,21)
InChIKeyNRYZDPICJCMHFN-UHFFFAOYSA-N
XLogP4.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine (CID 82733246) is 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine is CCNc1nc(-c2ncccc2CC)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine?
The InChIKey is NRYZDPICJCMHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN4/c1-3-10-6-5-9-19-14(10)16-20-13(11-7-8-11)12(17)15(21-16)18-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,18,20,21).
What are the key properties of 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine has a molecular weight of 394.26 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 82733246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).