5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine

C14H22BrN3O — CID 66304186

IUPAC5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(COCCC)nc(C2CC2)c1Br
InChIInChI=1S/C14H22BrN3O/c1-3-7-16-14-12(15)13(10-5-6-10)17-11(18-14)9-19-8-4-2/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyZMYNGPKQRLROFX-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.87
Rot. Bonds8

About 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 66304186) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID66304186
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(COCCC)nc(C2CC2)c1Br
InChIInChI=1S/C14H22BrN3O/c1-3-7-16-14-12(15)13(10-5-6-10)17-11(18-14)9-19-8-4-2/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyZMYNGPKQRLROFX-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
CID 103150464
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777193
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine (CID 66304186) is 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(COCCC)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is ZMYNGPKQRLROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-7-16-14-12(15)13(10-5-6-10)17-11(18-14)9-19-8-4-2/h10H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 328.25 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).