5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine

C13H20BrN3 — CID 66302752

IUPAC5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(C2CC2)c1Br
InChIInChI=1S/C13H20BrN3/c1-4-15-13-11(14)12(9-5-6-9)16-10(17-13)7-8(2)3/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyXSBQNEJSTKXQAN-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.75
Rot. Bonds5

About 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 66302752) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID66302752
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(C2CC2)c1Br
InChIInChI=1S/C13H20BrN3/c1-4-15-13-11(14)12(9-5-6-9)16-10(17-13)7-8(2)3/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyXSBQNEJSTKXQAN-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302948
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301524
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
CID 116777186
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
CID 66295909
5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 66295910
5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987890
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine (CID 66302752) is 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(CC(C)C)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is XSBQNEJSTKXQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-4-15-13-11(14)12(9-5-6-9)16-10(17-13)7-8(2)3/h8-9H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).