6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine

C15H17IN4 — CID 66304220

IUPAC6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccnc2)nc(C2CC2)c1I
InChIInChI=1S/C15H17IN4/c1-2-7-18-15-12(16)13(10-5-6-10)19-14(20-15)11-4-3-8-17-9-11/h3-4,8-10H,2,5-7H2,1H3,(H,18,19,20)
InChIKeyUPONZGJOXQOSGI-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.84
Rot. Bonds5

About 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine

6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 66304220) has the molecular formula C15H17IN4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID66304220
Molecular FormulaC15H17IN4
Molecular Weight380.23 g/mol
Exact Mass380.05
IUPAC Name6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccnc2)nc(C2CC2)c1I
InChIInChI=1S/C15H17IN4/c1-2-7-18-15-12(16)13(10-5-6-10)19-14(20-15)11-4-3-8-17-9-11/h3-4,8-10H,2,5-7H2,1H3,(H,18,19,20)
InChIKeyUPONZGJOXQOSGI-UHFFFAOYSA-N
XLogP3.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.84
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-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine (CID 66304220) is 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine is CCCNc1nc(-c2cccnc2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is UPONZGJOXQOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN4/c1-2-7-18-15-12(16)13(10-5-6-10)19-14(20-15)11-4-3-8-17-9-11/h3-4,8-10H,2,5-7H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 380.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66304220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).