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

C12H18IN3 — CID 66301966

IUPAC6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(C2CC2)c1I
InChIInChI=1S/C12H18IN3/c1-4-14-12-9(13)10(8-5-6-8)15-11(16-12)7(2)3/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyQCBXUAQPVRLJTI-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.51
Rot. Bonds4

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

6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine (PubChem CID 66301966) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
PubChem CID66301966
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC Name6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(C2CC2)c1I
InChIInChI=1S/C12H18IN3/c1-4-14-12-9(13)10(8-5-6-8)15-11(16-12)7(2)3/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyQCBXUAQPVRLJTI-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.51
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-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine (CID 66301966) is 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QCBXUAQPVRLJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-4-14-12-9(13)10(8-5-6-8)15-11(16-12)7(2)3/h7-8H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine?
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 331.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).