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

C15H24IN3O — CID 104611744

IUPAC6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCC2)nc(CC)c1I
InChIInChI=1S/C15H24IN3O/c1-4-10-17-13-12(16)11(5-2)18-14(19-13)15(20-3)8-6-7-9-15/h4-10H2,1-3H3,(H,17,18,19)
InChIKeyGWECUHIOYKUTFQ-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.88
Rot. Bonds6

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

6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine (PubChem CID 104611744) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
PubChem CID104611744
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCC2)nc(CC)c1I
InChIInChI=1S/C15H24IN3O/c1-4-10-17-13-12(16)11(5-2)18-14(19-13)15(20-3)8-6-7-9-15/h4-10H2,1-3H3,(H,17,18,19)
InChIKeyGWECUHIOYKUTFQ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
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
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
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine (CID 104611744) is 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2(OC)CCCC2)nc(CC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
The InChIKey is GWECUHIOYKUTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-10-17-13-12(16)11(5-2)18-14(19-13)15(20-3)8-6-7-9-15/h4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104611744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).