2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C16H26IN3O — CID 116776844

IUPAC2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OCC)CCCC2)nc(CC)c1I
InChIInChI=1S/C16H26IN3O/c1-4-11-18-14-13(17)12(5-2)19-15(20-14)16(21-6-3)9-7-8-10-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyYNJZMWNKTKAMMV-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.27
Rot. Bonds7

About 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 116776844) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID116776844
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OCC)CCCC2)nc(CC)c1I
InChIInChI=1S/C16H26IN3O/c1-4-11-18-14-13(17)12(5-2)19-15(20-14)16(21-6-3)9-7-8-10-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyYNJZMWNKTKAMMV-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 80683736
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 116776844) is 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(C2(OCC)CCCC2)nc(CC)c1I.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is YNJZMWNKTKAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-4-11-18-14-13(17)12(5-2)19-15(20-14)16(21-6-3)9-7-8-10-16/h4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).