5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine

C13H20IN3O — CID 104611748

IUPAC5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(N)c(I)c(C(C)C)n2)CCCC1
InChIInChI=1S/C13H20IN3O/c1-8(2)10-9(14)11(15)17-12(16-10)13(18-3)6-4-5-7-13/h8H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyBVELQRXJCBNZHT-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.20
Rot. Bonds3

About 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine

5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 104611748) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID104611748
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(N)c(I)c(C(C)C)n2)CCCC1
InChIInChI=1S/C13H20IN3O/c1-8(2)10-9(14)11(15)17-12(16-10)13(18-3)6-4-5-7-13/h8H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyBVELQRXJCBNZHT-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.20
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-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine (CID 104611748) is 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine is COC1(c2nc(N)c(I)c(C(C)C)n2)CCCC1.
What is the InChIKey of 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BVELQRXJCBNZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-8(2)10-9(14)11(15)17-12(16-10)13(18-3)6-4-5-7-13/h8H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine?
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 104611748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).