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

C16H26IN3O — CID 116503075

IUPAC6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(C2CCCC2)c1I
InChIInChI=1S/C16H26IN3O/c1-4-9-18-16-13(17)14(12-7-5-6-8-12)19-15(20-16)11(2)10-21-3/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyIWLUJIGUZIFGFS-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.31
Rot. Bonds7

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

6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 116503075) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID116503075
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(C2CCCC2)c1I
InChIInChI=1S/C16H26IN3O/c1-4-9-18-16-13(17)14(12-7-5-6-8-12)19-15(20-16)11(2)10-21-3/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyIWLUJIGUZIFGFS-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503060
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116730168
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777235
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638585
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
CID 115347083
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine (CID 116503075) is 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)COC)nc(C2CCCC2)c1I.
What is the InChIKey of 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is IWLUJIGUZIFGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-4-9-18-16-13(17)14(12-7-5-6-8-12)19-15(20-16)11(2)10-21-3/h11-12H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116503075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).