6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine

C15H24IN3O — CID 116730168

IUPAC6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(NC)c(I)c(C2CCCC2)n1
InChIInChI=1S/C15H24IN3O/c1-4-7-11(20-3)14-18-13(10-8-5-6-9-10)12(16)15(17-2)19-14/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyJCUBSCKTRXNFEU-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.27
Rot. Bonds6

About 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine

6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine (PubChem CID 116730168) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
PubChem CID116730168
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(NC)c(I)c(C2CCCC2)n1
InChIInChI=1S/C15H24IN3O/c1-4-7-11(20-3)14-18-13(10-8-5-6-9-10)12(16)15(17-2)19-14/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyJCUBSCKTRXNFEU-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923
5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729669
6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine
CID 116777422
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076
methyl 4-cyclopentyl-5-iodo-6-(methylamino)pyrimidine-2-carboxylate
CID 113390530
6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190
6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
CID 116729911
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503060
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine (CID 116730168) is 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine is CCCC(OC)c1nc(NC)c(I)c(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
The InChIKey is JCUBSCKTRXNFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-7-11(20-3)14-18-13(10-8-5-6-9-10)12(16)15(17-2)19-14/h10-11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 4.27, 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-(1-methoxybutyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116730168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).