6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine

C16H26IN3O — CID 116777422

IUPAC6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine
SMILESCCC(CC)(OC)c1nc(NC)c(I)c(C2CCCC2)n1
InChIInChI=1S/C16H26IN3O/c1-5-16(6-2,21-4)15-19-13(11-9-7-8-10-11)12(17)14(18-3)20-15/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIERWQCSOPUYRPG-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.44
Rot. Bonds6

About 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine

6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine (PubChem CID 116777422) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine
PubChem CID116777422
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine
SMILESCCC(CC)(OC)c1nc(NC)c(I)c(C2CCCC2)n1
InChIInChI=1S/C16H26IN3O/c1-5-16(6-2,21-4)15-19-13(11-9-7-8-10-11)12(17)14(18-3)20-15/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIERWQCSOPUYRPG-UHFFFAOYSA-N
XLogP4.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.44
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-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
CID 116777418
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796
6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116730168
methyl 4-cyclopentyl-5-iodo-6-(methylamino)pyrimidine-2-carboxylate
CID 113390530
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777235
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739300
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66301958
2-(cyclohexylsulfanylmethyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302987
2-(3-ethoxypentan-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116776545
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine (CID 116777422) is 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine is CCC(CC)(OC)c1nc(NC)c(I)c(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine?
The InChIKey is IERWQCSOPUYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-5-16(6-2,21-4)15-19-13(11-9-7-8-10-11)12(17)14(18-3)20-15/h11H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine?
6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.44, 6 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-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116777422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).