6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine

C15H24IN3O — CID 116503076

IUPAC6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)COC)nc(C2CCCC2)c1I
InChIInChI=1S/C15H24IN3O/c1-4-17-15-12(16)13(11-7-5-6-8-11)18-14(19-15)10(2)9-20-3/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyOQFBRVOSHVDSLX-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.92
Rot. Bonds6

About 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine

6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 116503076) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID116503076
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)COC)nc(C2CCCC2)c1I
InChIInChI=1S/C15H24IN3O/c1-4-17-15-12(16)13(11-7-5-6-8-11)18-14(19-15)10(2)9-20-3/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyOQFBRVOSHVDSLX-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.92
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-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 116503076) is 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine is CCNc1nc(C(C)COC)nc(C2CCCC2)c1I.
What is the InChIKey of 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is OQFBRVOSHVDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-17-15-12(16)13(11-7-5-6-8-11)18-14(19-15)10(2)9-20-3/h10-11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116503076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).