5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine

C14H20BrF2N3O — CID 103150464

IUPAC5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)F)nc(C2CC2)c1Br
InChIInChI=1S/C14H20BrF2N3O/c1-2-6-18-14-12(15)13(9-3-4-9)19-11(20-14)5-7-21-8-10(16)17/h9-10H,2-8H2,1H3,(H,18,19,20)
InChIKeyJUSXOXCVYZCUIN-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.76
Rot. Bonds9

About 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine (PubChem CID 103150464) has the molecular formula C14H20BrF2N3O and a molecular weight of 364.23 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
PubChem CID103150464
Molecular FormulaC14H20BrF2N3O
Molecular Weight364.23 g/mol
Exact Mass363.08
IUPAC Name5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)F)nc(C2CC2)c1Br
InChIInChI=1S/C14H20BrF2N3O/c1-2-6-18-14-12(15)13(9-3-4-9)19-11(20-14)5-7-21-8-10(16)17/h9-10H,2-8H2,1H3,(H,18,19,20)
InChIKeyJUSXOXCVYZCUIN-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.76
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-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150283
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150345
5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777193
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine (CID 103150464) is 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine is CCCNc1nc(CCOCC(F)F)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine?
The InChIKey is JUSXOXCVYZCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N3O/c1-2-6-18-14-12(15)13(9-3-4-9)19-11(20-14)5-7-21-8-10(16)17/h9-10H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine has a molecular weight of 364.23 g/mol, XLogP of 3.76, 9 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-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103150464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).