6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine

C13H20IN3O — CID 66304213

IUPAC6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
SMILESCCCOCc1nc(NCC)c(I)c(C2CC2)n1
InChIInChI=1S/C13H20IN3O/c1-3-7-18-8-10-16-12(9-5-6-9)11(14)13(17-10)15-4-2/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyMUMHBOWDAVSRFP-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.32
Rot. Bonds7

About 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine

6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine (PubChem CID 66304213) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
PubChem CID66304213
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
SMILESCCCOCc1nc(NCC)c(I)c(C2CC2)n1
InChIInChI=1S/C13H20IN3O/c1-3-7-18-8-10-16-12(9-5-6-9)11(14)13(17-10)15-4-2/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyMUMHBOWDAVSRFP-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503060
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66301967
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
CID 115347083
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine (CID 66304213) is 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine is CCCOCc1nc(NCC)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine?
The InChIKey is MUMHBOWDAVSRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-3-7-18-8-10-16-12(9-5-6-9)11(14)13(17-10)15-4-2/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).