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

C13H20IN3O — CID 113432898

IUPAC6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(C2(OC)CCCC2)nc(NC)c1I
InChIInChI=1S/C13H20IN3O/c1-4-9-10(14)11(15-2)17-12(16-9)13(18-3)7-5-6-8-13/h4-8H2,1-3H3,(H,15,16,17)
InChIKeyNRQLMGLRKUNLGZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.10
Rot. Bonds4

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

6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine (PubChem CID 113432898) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
PubChem CID113432898
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(C2(OC)CCCC2)nc(NC)c1I
InChIInChI=1S/C13H20IN3O/c1-4-9-10(14)11(15-2)17-12(16-9)13(18-3)7-5-6-8-13/h4-8H2,1-3H3,(H,15,16,17)
InChIKeyNRQLMGLRKUNLGZ-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.10
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

5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
CID 116777102
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine (CID 113432898) is 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine is CCc1nc(C2(OC)CCCC2)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine?
The InChIKey is NRQLMGLRKUNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-4-9-10(14)11(15-2)17-12(16-9)13(18-3)7-5-6-8-13/h4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine?
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 3.10, 4 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-methylpyrimidin-4-amine is sourced from PubChem (CID 113432898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).