6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine

C10H14IN3 — CID 66303993

IUPAC6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C10H14IN3/c1-5(2)10-13-8(6-3-4-6)7(11)9(12)14-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyARFOSMXBWAFYKQ-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.66
Rot. Bonds2

About 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine

6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine (PubChem CID 66303993) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
PubChem CID66303993
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C10H14IN3/c1-5(2)10-13-8(6-3-4-6)7(11)9(12)14-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyARFOSMXBWAFYKQ-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.66
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 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine (CID 66303993) is 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ARFOSMXBWAFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c1-5(2)10-13-8(6-3-4-6)7(11)9(12)14-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 303.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66303993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).